data_1w5g_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 1w5g _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' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 50.969999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 tpp -86.4 -33.81 20.36 Favored 'General case' 0 C--O 1.256 1.4 0 N-CA-C 112.89 0.7 . . . . 62.770000000000003 112.89 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -72.84 -40.57 65.61 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.453 -0.943 . . . . 48.509999999999998 108.453 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . . . -56.87 -33.62 67.03 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 123.487 0.492 . . . . 45.32 111.48 175.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.3 -45.67 78.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 121.763 -0.585 . . . . 43.009999999999998 109.742 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . . . -60.2 -45.0 94.65 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 123.841 0.856 . . . . 41.659999999999997 112.995 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -64.43 -43.58 93.9 Favored 'General case' 0 C--O 1.206 -1.23 0 N-CA-C 108.575 -0.898 . . . . 41.57 108.575 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -64.81 -35.63 81.72 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.652 0.982 . . . . 41.719999999999999 113.652 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.12 -39.57 94.32 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 123.038 0.535 . . . . 40.68 112.37 170.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -62.4 -42.01 99.11 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.04 -1.467 . . . . 45.140000000000001 107.04 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -66.86 -42.0 86.37 Favored 'General case' 0 C--O 1.192 -1.963 0 O-C-N 121.82 -0.55 . . . . 52.450000000000003 111.102 -178.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.51 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.239 0.459 . . . . 37.350000000000001 112.239 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt -56.29 -41.79 76.46 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 112.776 0.658 . . . . 38.409999999999997 112.776 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.4 p -70.31 -38.41 74.93 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.325 0.491 . . . . 39.780000000000001 112.325 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -62.29 -44.55 96.26 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.637 1.175 . . . . 51.899999999999999 111.397 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.46 -38.67 88.07 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 122.768 0.427 . . . . 38.579999999999998 111.868 173.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -65.38 -41.58 93.58 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.057 0.39 . . . . 48.880000000000003 111.106 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . 0.645 ' C ' ' ND1' ' A' ' 18' ' ' HIS . 19.5 m170 -61.46 -51.6 67.99 Favored 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 117.64 -1.624 . . . . 45.0 110.973 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . 0.633 ' N ' ' ND1' ' A' ' 18' ' ' HIS . 62.1 mt -53.19 -43.97 51.13 Favored 'Isoleucine or valine' 0 C--O 1.246 0.918 0 CA-C-N 119.984 1.265 . . . . 38.219999999999999 110.513 175.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 m -55.17 -43.03 73.92 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.06 -0.973 . . . . 41.289999999999999 111.747 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.9 -40.05 79.36 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-N 119.457 1.026 . . . . 37.369999999999997 110.642 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -60.66 -43.92 97.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.003 1.321 . . . . 40.57 113.725 175.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.94 -31.09 70.6 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.093 0.775 . . . . 40.619999999999997 113.093 176.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.34 -34.34 55.22 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 120.518 -0.473 . . . . 41.810000000000002 110.501 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -64.45 -41.98 96.22 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 122.102 -0.374 . . . . 46.740000000000002 110.264 173.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.6 mt -60.62 -47.72 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 C-N-CA 123.918 0.887 . . . . 41.259999999999998 110.382 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -58.75 -46.91 86.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 119.185 -0.436 . . . . 52.640000000000001 110.719 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -53.06 -49.7 65.83 Favored 'General case' 0 C--O 1.202 -1.41 0 C-N-CA 123.597 0.759 . . . . 48.640000000000001 110.214 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.45 -41.7 98.63 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 122.821 0.448 . . . . 46.200000000000003 110.87 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.0 mt -65.82 -34.74 78.87 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 123.502 0.501 . . . . 49.060000000000002 110.43 -176.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.57 -14.7 82.2 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 114.991 0.756 . . . . 54.149999999999999 114.991 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 124.497 1.119 . . . . 56.409999999999997 112.195 -177.726 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 115.237 1.569 . . . . 61.890000000000001 115.237 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 50.1 tpp -71.09 -35.24 71.76 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.11 -0.7 . . . . 61.43 109.11 166.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -60.7 -39.08 87.18 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.469 0.707 . . . . 65.299999999999997 110.798 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . . . -62.26 -35.5 79.16 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.749 0.648 . . . . 53.0 112.749 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.24 -47.69 72.52 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 108.005 -1.109 . . . . 50.020000000000003 108.005 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . . . -58.92 -42.74 90.4 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.817 1.043 . . . . 43.579999999999998 113.817 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -58.46 -42.82 88.28 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 123.206 0.316 . . . . 47.630000000000003 111.233 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -67.81 -41.8 82.56 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 112.824 0.676 . . . . 47.729999999999997 112.824 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.13 -37.08 76.38 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 123.693 0.797 . . . . 39.729999999999997 112.937 172.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . . . -64.72 -46.39 82.46 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 119.478 -0.296 . . . . 42.119999999999997 111.107 174.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.1 -45.91 75.5 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 124.373 1.069 . . . . 49.659999999999997 113.318 171.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 mt -64.4 -39.75 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 113.35 0.87 . . . . 39.640000000000001 113.35 174.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.69 -41.94 98.26 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-O 121.069 0.462 . . . . 41.380000000000003 111.824 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -45.93 78.06 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.593 1.157 . . . . 44.590000000000003 112.096 175.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -61.78 -32.36 72.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 122.226 -0.296 . . . . 49.350000000000001 110.393 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -74.0 -42.34 60.53 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 118.708 -0.663 . . . . 42.399999999999999 112.567 177.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -47.3 -51.74 18.32 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.451 0.644 . . . . 47.770000000000003 111.897 168.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -57.42 -41.95 81.4 Favored 'General case' 0 C--O 1.198 -1.657 0 N-CA-C 108.804 -0.814 . . . . 48.100000000000001 108.804 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.15 -41.13 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.065 -1.022 . . . . 41.030000000000001 111.815 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 m -59.91 -42.7 94.44 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 119.317 -0.953 . . . . 47.479999999999997 111.609 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.61 -45.69 91.71 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 123.65 0.594 . . . . 43.869999999999997 111.796 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -66.2 -33.45 75.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.164 0.431 . . . . 56.240000000000002 112.164 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 75.4 mt -73.21 -35.0 66.26 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 119.053 -0.499 . . . . 39.049999999999997 110.533 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.22 79.88 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.884 0.74 . . . . 41.469999999999999 109.637 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . . . -61.22 -33.82 74.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.304 1.442 . . . . 45.640000000000001 112.245 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.48 -50.02 43.02 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 N-CA-C 109.391 -0.596 . . . . 44.079999999999998 109.391 174.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -49.1 -37.03 20.3 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 118.792 -0.623 . . . . 59.280000000000001 110.294 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -77.85 -42.3 34.04 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 123.845 0.716 . . . . 52.659999999999997 110.448 -174.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.5 -31.07 67.53 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.497 1.119 . . . . 58.159999999999997 113.131 173.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -80.69 -32.14 35.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.893 -0.505 . . . . 61.770000000000003 111.164 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.04 -11.42 83.97 Favored Glycine 0 C--O 1.219 -0.817 0 CA-C-O 119.363 -0.687 . . . . 64.280000000000001 114.024 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -84.72 -27.08 27.23 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 125.948 1.699 . . . . 69.75 113.49 169.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.332 0 C-N-CA 123.049 0.54 . . . . 66.340000000000003 111.072 179.897 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . 0.565 ' O ' ' CE1' ' A' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 50.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 tpp -86.4 -33.81 20.36 Favored 'General case' 0 C--O 1.256 1.4 0 N-CA-C 112.89 0.7 . . . . 62.77 112.89 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -72.84 -40.57 65.61 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.453 -0.943 . . . . 48.51 108.453 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . . . -56.87 -33.62 67.03 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 123.487 0.492 . . . . 45.32 111.48 175.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.3 -45.67 78.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 121.763 -0.585 . . . . 43.01 109.742 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . . . -60.2 -45.0 94.65 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 123.841 0.856 . . . . 41.66 112.995 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -64.43 -43.58 93.9 Favored 'General case' 0 C--O 1.206 -1.23 0 N-CA-C 108.575 -0.898 . . . . 41.57 108.575 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -64.81 -35.63 81.72 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.652 0.982 . . . . 41.72 113.652 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.12 -39.57 94.32 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 123.038 0.535 . . . . 40.68 112.37 170.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -62.4 -42.01 99.11 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.04 -1.467 . . . . 45.14 107.04 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -66.86 -42.0 86.37 Favored 'General case' 0 C--O 1.192 -1.963 0 O-C-N 121.82 -0.55 . . . . 52.45 111.102 -178.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.51 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.239 0.459 . . . . 37.35 112.239 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt -56.29 -41.79 76.46 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 112.776 0.658 . . . . 38.41 112.776 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.4 p -70.31 -38.41 74.93 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.325 0.491 . . . . 39.78 112.325 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -62.29 -44.55 96.26 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.637 1.175 . . . . 51.9 111.397 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.46 -38.67 88.07 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 122.768 0.427 . . . . 38.58 111.868 173.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -65.38 -41.58 93.58 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.057 0.39 . . . . 48.88 111.106 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . 0.645 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 19.5 m170 -61.46 -51.6 67.99 Favored 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 117.64 -1.624 . . . . 55.04 110.973 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.633 ' N ' ' ND1' ' A' ' 18' ' ' HIS . 62.1 mt -53.19 -43.97 51.13 Favored 'Isoleucine or valine' 0 C--O 1.246 0.918 0 CA-C-N 119.984 1.265 . . . . 38.22 110.513 175.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 m -55.17 -43.03 73.92 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.06 -0.973 . . . . 41.29 111.747 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.9 -40.05 79.36 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-N 119.457 1.026 . . . . 37.37 110.642 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -60.66 -43.92 97.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.003 1.321 . . . . 40.57 113.725 175.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.94 -31.09 70.6 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.093 0.775 . . . . 40.62 113.093 176.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.34 -34.34 55.22 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 120.518 -0.473 . . . . 41.81 110.501 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -64.45 -41.98 96.22 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 122.102 -0.374 . . . . 46.74 110.264 173.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.6 mt -60.62 -47.72 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 C-N-CA 123.918 0.887 . . . . 41.26 110.382 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -58.75 -46.91 86.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 119.185 -0.436 . . . . 52.64 110.719 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -53.06 -49.7 65.83 Favored 'General case' 0 C--O 1.202 -1.41 0 C-N-CA 123.597 0.759 . . . . 48.64 110.214 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.45 -41.7 98.63 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 122.821 0.448 . . . . 46.2 110.87 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.0 mt -65.82 -34.74 78.87 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 123.502 0.501 . . . . 49.06 110.43 -176.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.57 -14.7 82.2 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 114.991 0.756 . . . . 54.15 114.991 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 124.497 1.119 . . . . 56.41 112.195 -177.726 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 115.237 1.569 . . . . 61.89 115.237 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 50.1 tpp -71.09 -35.24 71.76 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.11 -0.7 . . . . 61.43 109.11 166.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -60.7 -39.08 87.18 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.469 0.707 . . . . 65.3 110.798 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . . . -62.26 -35.5 79.16 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.749 0.648 . . . . 53.0 112.749 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.24 -47.69 72.52 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 108.005 -1.109 . . . . 50.02 108.005 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . . . -58.92 -42.74 90.4 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.817 1.043 . . . . 43.58 113.817 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -58.46 -42.82 88.28 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 123.206 0.316 . . . . 47.63 111.233 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -67.81 -41.8 82.56 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 112.824 0.676 . . . . 47.73 112.824 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.13 -37.08 76.38 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 123.693 0.797 . . . . 39.73 112.937 172.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . . . -64.72 -46.39 82.46 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 119.478 -0.296 . . . . 42.12 111.107 174.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.1 -45.91 75.5 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 124.373 1.069 . . . . 49.66 113.318 171.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 mt -64.4 -39.75 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 113.35 0.87 . . . . 39.64 113.35 174.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.69 -41.94 98.26 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-O 121.069 0.462 . . . . 41.38 111.824 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -45.93 78.06 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.593 1.157 . . . . 44.59 112.096 175.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -61.78 -32.36 72.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 122.226 -0.296 . . . . 49.35 110.393 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -74.0 -42.34 60.53 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 118.708 -0.663 . . . . 42.4 112.567 177.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -47.3 -51.74 18.32 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.451 0.644 . . . . 47.77 111.897 168.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -57.42 -41.95 81.4 Favored 'General case' 0 C--O 1.198 -1.657 0 N-CA-C 108.804 -0.814 . . . . 48.1 108.804 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.15 -41.13 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.065 -1.022 . . . . 41.03 111.815 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 m -59.91 -42.7 94.44 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 119.317 -0.953 . . . . 47.48 111.609 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.61 -45.69 91.71 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 123.65 0.594 . . . . 43.87 111.796 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -66.2 -33.45 75.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.164 0.431 . . . . 56.24 112.164 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 75.4 mt -73.21 -35.0 66.26 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 119.053 -0.499 . . . . 39.05 110.533 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.22 79.88 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.884 0.74 . . . . 41.47 109.637 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . . . -61.22 -33.82 74.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.304 1.442 . . . . 45.64 112.245 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.48 -50.02 43.02 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 N-CA-C 109.391 -0.596 . . . . 44.08 109.391 174.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -49.1 -37.03 20.3 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 118.792 -0.623 . . . . 59.28 110.294 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -77.85 -42.3 34.04 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 123.845 0.716 . . . . 52.66 110.448 -174.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.5 -31.07 67.53 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.497 1.119 . . . . 58.16 113.131 173.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -80.69 -32.14 35.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.893 -0.505 . . . . 61.77 111.164 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.04 -11.42 83.97 Favored Glycine 0 C--O 1.219 -0.817 0 CA-C-O 119.363 -0.687 . . . . 64.28 114.024 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -84.72 -27.08 27.23 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 125.948 1.699 . . . . 69.75 113.49 169.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.332 0 C-N-CA 123.049 0.54 . . . . 66.34 111.072 179.897 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . 0.576 ' O ' ' HE1' ' A' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 50.969999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 tpp -86.4 -33.81 20.36 Favored 'General case' 0 C--O 1.256 1.4 0 N-CA-C 112.89 0.7 . . . . 62.770000000000003 112.89 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -72.84 -40.57 65.61 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.453 -0.943 . . . . 48.509999999999998 108.453 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . . . -56.87 -33.62 67.03 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 123.487 0.492 . . . . 45.32 111.48 175.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.3 -45.67 78.68 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 O-C-N 121.763 -0.585 . . . . 43.009999999999998 109.742 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . . . -60.2 -45.0 94.65 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 123.841 0.856 . . . . 41.659999999999997 112.995 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -64.43 -43.58 93.9 Favored 'General case' 0 C--O 1.206 -1.23 0 N-CA-C 108.575 -0.898 . . . . 41.57 108.575 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -64.81 -35.63 81.72 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.652 0.982 . . . . 41.719999999999999 113.652 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.12 -39.57 94.32 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 123.038 0.535 . . . . 40.68 112.37 170.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -62.4 -42.01 99.11 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 107.04 -1.467 . . . . 45.140000000000001 107.04 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -66.86 -42.0 86.37 Favored 'General case' 0 C--O 1.192 -1.963 0 O-C-N 121.82 -0.55 . . . . 52.450000000000003 111.102 -178.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.51 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.239 0.459 . . . . 37.350000000000001 112.239 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt -56.29 -41.79 76.46 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 112.776 0.658 . . . . 38.409999999999997 112.776 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.4 p -70.31 -38.41 74.93 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.325 0.491 . . . . 39.780000000000001 112.325 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -62.29 -44.55 96.26 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.637 1.175 . . . . 51.899999999999999 111.397 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.46 -38.67 88.07 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 122.768 0.427 . . . . 38.579999999999998 111.868 173.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -65.38 -41.58 93.58 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.057 0.39 . . . . 48.880000000000003 111.106 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.645 ' C ' ' ND1' ' A' ' 18' ' ' HIS . 19.5 m170 -61.46 -51.6 67.99 Favored 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 117.64 -1.624 . . . . 55.039999999999999 110.973 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.633 ' N ' ' ND1' ' A' ' 18' ' ' HIS . 62.1 mt -53.19 -43.97 51.13 Favored 'Isoleucine or valine' 0 C--O 1.246 0.918 0 CA-C-N 119.984 1.265 . . . . 38.219999999999999 110.513 175.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 m -55.17 -43.03 73.92 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.06 -0.973 . . . . 41.289999999999999 111.747 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.9 -40.05 79.36 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-N 119.457 1.026 . . . . 37.369999999999997 110.642 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -60.66 -43.92 97.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.003 1.321 . . . . 40.57 113.725 175.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.94 -31.09 70.6 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.093 0.775 . . . . 40.619999999999997 113.093 176.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.34 -34.34 55.22 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 120.518 -0.473 . . . . 41.810000000000002 110.501 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -64.45 -41.98 96.22 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 122.102 -0.374 . . . . 46.740000000000002 110.264 173.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.6 mt -60.62 -47.72 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 C-N-CA 123.918 0.887 . . . . 41.259999999999998 110.382 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -58.75 -46.91 86.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 119.185 -0.436 . . . . 52.640000000000001 110.719 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -53.06 -49.7 65.83 Favored 'General case' 0 C--O 1.202 -1.41 0 C-N-CA 123.597 0.759 . . . . 48.640000000000001 110.214 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.45 -41.7 98.63 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 122.821 0.448 . . . . 46.200000000000003 110.87 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.0 mt -65.82 -34.74 78.87 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 123.502 0.501 . . . . 49.060000000000002 110.43 -176.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.57 -14.7 82.2 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 114.991 0.756 . . . . 54.149999999999999 114.991 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 124.497 1.119 . . . . 56.409999999999997 112.195 -177.726 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 115.237 1.569 . . . . 61.890000000000001 115.237 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 50.1 tpp -71.09 -35.24 71.76 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.11 -0.7 . . . . 61.43 109.11 166.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -60.7 -39.08 87.18 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.469 0.707 . . . . 65.299999999999997 110.798 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . . . -62.26 -35.5 79.16 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.749 0.648 . . . . 53.0 112.749 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.24 -47.69 72.52 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 108.005 -1.109 . . . . 50.020000000000003 108.005 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . . . -58.92 -42.74 90.4 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.817 1.043 . . . . 43.579999999999998 113.817 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -58.46 -42.82 88.28 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 123.206 0.316 . . . . 47.630000000000003 111.233 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -67.81 -41.8 82.56 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 112.824 0.676 . . . . 47.729999999999997 112.824 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.13 -37.08 76.38 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 123.693 0.797 . . . . 39.729999999999997 112.937 172.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . . . -64.72 -46.39 82.46 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 119.478 -0.296 . . . . 42.119999999999997 111.107 174.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.1 -45.91 75.5 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 124.373 1.069 . . . . 49.659999999999997 113.318 171.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 mt -64.4 -39.75 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 113.35 0.87 . . . . 39.640000000000001 113.35 174.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.69 -41.94 98.26 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-O 121.069 0.462 . . . . 41.380000000000003 111.824 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -45.93 78.06 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.593 1.157 . . . . 44.590000000000003 112.096 175.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -61.78 -32.36 72.63 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 122.226 -0.296 . . . . 49.350000000000001 110.393 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -74.0 -42.34 60.53 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 118.708 -0.663 . . . . 42.399999999999999 112.567 177.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -47.3 -51.74 18.32 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.451 0.644 . . . . 47.770000000000003 111.897 168.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -57.42 -41.95 81.4 Favored 'General case' 0 C--O 1.198 -1.657 0 N-CA-C 108.804 -0.814 . . . . 48.100000000000001 108.804 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.15 -41.13 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.065 -1.022 . . . . 41.030000000000001 111.815 177.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 m -59.91 -42.7 94.44 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 119.317 -0.953 . . . . 47.479999999999997 111.609 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.61 -45.69 91.71 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 123.65 0.594 . . . . 43.869999999999997 111.796 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -66.2 -33.45 75.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.164 0.431 . . . . 56.240000000000002 112.164 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 75.4 mt -73.21 -35.0 66.26 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 119.053 -0.499 . . . . 39.049999999999997 110.533 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.22 79.88 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.884 0.74 . . . . 41.469999999999999 109.637 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . . . -61.22 -33.82 74.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.304 1.442 . . . . 45.640000000000001 112.245 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.48 -50.02 43.02 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 N-CA-C 109.391 -0.596 . . . . 44.079999999999998 109.391 174.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -49.1 -37.03 20.3 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 118.792 -0.623 . . . . 59.280000000000001 110.294 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -77.85 -42.3 34.04 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 123.845 0.716 . . . . 52.659999999999997 110.448 -174.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.5 -31.07 67.53 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.497 1.119 . . . . 58.159999999999997 113.131 173.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -80.69 -32.14 35.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.893 -0.505 . . . . 61.770000000000003 111.164 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.04 -11.42 83.97 Favored Glycine 0 C--O 1.219 -0.817 0 CA-C-O 119.363 -0.687 . . . . 64.280000000000001 114.024 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -84.72 -27.08 27.23 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 125.948 1.699 . . . . 69.75 113.49 169.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.332 0 C-N-CA 123.049 0.54 . . . . 66.340000000000003 111.072 179.897 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . 0.576 ' O ' ' HE1' ' A' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_