data_5w0j_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 5w0j _Structure_validation_residue.Date_analyzed 2017-09-29 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' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 59.520000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.64 -55.69 30.25 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 122.664 0.386 . . . . 94.819999999999993 111.849 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.07 -40.07 82.83 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.511 -0.476 . . . . 65.129999999999995 111.488 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.99 -51.34 64.24 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.771 -0.372 . . . . 59.350000000000001 111.469 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -63.3 -37.26 86.57 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.336 -0.546 . . . . 83.370000000000005 111.092 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.49 86.02 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.333 -0.547 . . . . 53.469999999999999 110.854 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -65.66 -30.9 71.65 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.071 -0.652 . . . . 48.049999999999997 111.437 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.14 -45.13 82.1 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.172 -0.611 . . . . 75.769999999999996 110.913 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.1 -31.25 68.75 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.147 -0.621 . . . . 90.739999999999995 111.21 174.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.5 -44.52 61.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 120.867 0.365 . . . . 41.93 110.455 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.23 77.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.207 -0.597 . . . . 39.710000000000001 111.065 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -66.77 -39.42 87.84 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.138 -0.625 . . . . 88.879999999999995 111.117 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.84 91.78 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.116 -0.634 . . . . 53.979999999999997 111.248 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -69.72 -29.07 66.37 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.732 -0.787 . . . . 41.649999999999999 111.559 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -69.1 -39.96 78.65 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.746 -0.782 . . . . 102.92 111.076 175.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.67 -36.16 82.0 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.137 -0.625 . . . . 91.299999999999997 110.923 173.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.99 -45.35 94.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 120.546 -0.462 . . . . 39.68 110.214 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.16 79.75 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.989 -0.444 . . . . 44.299999999999997 111.093 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -60.36 -40.02 89.28 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.886 -0.326 . . . . 61.130000000000003 111.188 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.99 94.31 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.651 -0.42 . . . . 46.270000000000003 111.416 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -71.73 -27.64 63.14 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.709 -0.797 . . . . 42.960000000000001 111.668 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.76 -44.78 80.51 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.246 -0.65 . . . . 80.680000000000007 109.246 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.9 mt -59.21 -48.39 87.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 114.416 -1.266 . . . . 49.93 109.464 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.77 69.74 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.315 -0.554 . . . . 53.920000000000002 111.14 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -69.85 -33.21 71.98 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.316 -0.553 . . . . 90.890000000000001 111.61 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.62 -32.69 71.54 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.319 -0.552 . . . . 63.399999999999999 111.515 178.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.08 -46.92 83.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.097 0.475 . . . . 68.760000000000005 110.27 178.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 C--N 1.33 -0.247 0 O-C-N 121.84 -0.537 . . . . 98.659999999999997 112.318 -177.629 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.019 . . . . . . . . 57.149999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.79 -48.36 81.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.702 0.26 . . . . 105.78 111.702 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.19 -48.01 72.08 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.131 -0.627 . . . . 64.659999999999997 111.065 -177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.41 95.91 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.4 -0.52 . . . . 45.590000000000003 111.312 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -64.25 -39.6 94.29 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.62 -0.432 . . . . 107.7 111.028 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.24 86.95 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.541 -0.464 . . . . 51.310000000000002 111.171 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -69.93 -28.61 65.73 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.72 -0.792 . . . . 45.799999999999997 111.678 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -69.16 -40.22 78.31 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.149 -0.62 . . . . 59.700000000000003 111.072 175.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.1 -33.99 77.02 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.418 -0.513 . . . . 59.649999999999999 111.404 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.77 -44.42 85.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.24 0.543 . . . . 41.140000000000001 110.091 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.76 84.62 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.982 -0.687 . . . . 37.689999999999998 110.633 178.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -43.7 77.53 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.345 -0.542 . . . . 94.609999999999999 111.028 178.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.7 89.06 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.977 -0.689 . . . . 35.920000000000002 111.345 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.57 -31.21 72.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.85 -0.74 . . . . 41.420000000000002 111.313 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -64.97 -42.24 94.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.706 -0.398 . . . . 95.379999999999995 111.195 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -62.66 -38.01 88.64 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.402 -0.519 . . . . 79.709999999999994 111.065 174.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.9 -46.94 90.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.166 0.508 . . . . 39.119999999999997 110.282 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 -43.71 84.77 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.034 -0.666 . . . . 35.439999999999998 111.013 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -65.75 -33.94 77.04 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.433 -0.507 . . . . 69.950000000000003 111.703 177.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.71 87.8 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.547 -0.461 . . . . 41.600000000000001 111.28 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -73.44 -30.53 63.26 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.371 -0.932 . . . . 43.109999999999999 111.502 178.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -63.38 -40.95 98.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.839 -0.43 . . . . 61.829999999999998 109.839 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.51 -53.7 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 121.278 -0.889 . . . . 54.57 109.165 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.87 -39.91 75.2 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.118 -0.946 . . . . 37.25 111.422 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.28 -28.4 61.18 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 119.584 -0.846 . . . . 112.13 111.491 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.59 67.83 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.025 -0.67 . . . . 49.490000000000002 111.325 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.88 -41.61 46.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.832 0.348 . . . . 53.25 110.459 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 . . . . . 0 C--N 1.33 -0.247 0 O-C-N 121.711 -0.618 . . . . 70.719999999999999 110.8 178.91 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 59.520000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.64 -55.69 30.25 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 122.664 0.386 . . . . 89.170000000000002 111.849 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.07 -40.07 82.83 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.511 -0.476 . . . . 54.25 111.488 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.99 -51.34 64.24 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.771 -0.372 . . . . 49.439999999999998 111.469 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -63.3 -37.26 86.57 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.336 -0.546 . . . . 71.099999999999994 111.092 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.49 86.02 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.333 -0.547 . . . . 44.539999999999999 110.854 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -65.66 -30.9 71.65 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.071 -0.652 . . . . 40.020000000000003 111.437 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.14 -45.13 82.1 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.172 -0.611 . . . . 63.119999999999997 110.913 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.1 -31.25 68.75 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.147 -0.621 . . . . 90.739999999999995 111.21 174.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.5 -44.52 61.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 120.867 0.365 . . . . 35.049999999999997 110.455 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.23 77.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.207 -0.597 . . . . 34.189999999999998 111.065 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -66.77 -39.42 87.84 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.138 -0.625 . . . . 74.040000000000006 111.117 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.84 91.78 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.116 -0.634 . . . . 44.969999999999999 111.248 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -69.72 -29.07 66.37 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.732 -0.787 . . . . 34.689999999999998 111.559 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -69.1 -39.96 78.65 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.746 -0.782 . . . . 85.75 111.076 175.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.67 -36.16 82.0 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.137 -0.625 . . . . 91.299999999999997 110.923 173.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.99 -45.35 94.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 120.546 -0.462 . . . . 34.609999999999999 110.214 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.16 79.75 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.989 -0.444 . . . . 38.090000000000003 111.093 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -60.36 -40.02 89.28 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.886 -0.326 . . . . 50.920000000000002 111.188 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.99 94.31 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.651 -0.42 . . . . 38.539999999999999 111.416 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -71.73 -27.64 63.14 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.709 -0.797 . . . . 42.960000000000001 111.668 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.76 -44.78 80.51 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.246 -0.65 . . . . 75.969999999999999 109.246 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.9 mt -59.21 -48.39 87.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 114.416 -1.266 . . . . 42.43 109.464 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.77 69.74 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.315 -0.554 . . . . 44.920000000000002 111.14 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -69.85 -33.21 71.98 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.316 -0.553 . . . . 80.810000000000002 111.61 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.62 -32.69 71.54 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.319 -0.552 . . . . 58.200000000000003 111.515 178.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.08 -46.92 83.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.097 0.475 . . . . 68.760000000000005 110.27 178.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 C--N 1.33 -0.247 0 O-C-N 121.84 -0.537 . . . . 90.849999999999994 112.318 -177.629 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.019 . . . . . . . . 57.149999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.79 -48.36 81.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.702 0.26 . . . . 103.64 111.702 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.19 -48.01 72.08 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.131 -0.627 . . . . 53.859999999999999 111.065 -177.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.41 95.91 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.4 -0.52 . . . . 39.659999999999997 111.312 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -64.25 -39.6 94.29 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.62 -0.432 . . . . 89.730000000000004 111.028 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.24 86.95 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.541 -0.464 . . . . 42.740000000000002 111.171 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -69.93 -28.61 65.73 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.72 -0.792 . . . . 38.149999999999999 111.678 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -69.16 -40.22 78.31 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.149 -0.62 . . . . 49.729999999999997 111.072 175.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.1 -33.99 77.02 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.418 -0.513 . . . . 55.0 111.404 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.77 -44.42 85.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.24 0.543 . . . . 34.259999999999998 110.091 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.76 84.62 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.982 -0.687 . . . . 31.390000000000001 110.633 178.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -43.7 77.53 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.345 -0.542 . . . . 78.819999999999993 111.028 178.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.7 89.06 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.977 -0.689 . . . . 30.260000000000002 111.345 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.57 -31.21 72.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.85 -0.74 . . . . 34.490000000000002 111.313 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -64.97 -42.24 94.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.706 -0.398 . . . . 79.459999999999994 111.195 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -62.66 -38.01 88.64 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.402 -0.519 . . . . 79.709999999999994 111.065 174.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.9 -46.94 90.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.166 0.508 . . . . 32.579999999999998 110.282 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 -43.71 84.77 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.034 -0.666 . . . . 31.050000000000001 111.013 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -65.75 -33.94 77.04 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.433 -0.507 . . . . 58.270000000000003 111.703 177.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.71 87.8 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.547 -0.461 . . . . 34.649999999999999 111.28 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -73.44 -30.53 63.26 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.371 -0.932 . . . . 35.909999999999997 111.502 178.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -63.38 -40.95 98.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.839 -0.43 . . . . 61.829999999999998 109.839 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.51 -53.7 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 121.278 -0.889 . . . . 45.450000000000003 109.165 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.87 -39.91 75.2 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.118 -0.946 . . . . 33.090000000000003 111.422 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.28 -28.4 61.18 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 119.584 -0.846 . . . . 93.420000000000002 111.491 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.59 67.83 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.025 -0.67 . . . . 41.219999999999999 111.325 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.88 -41.61 46.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.832 0.348 . . . . 45.530000000000001 110.459 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 . . . . . 0 C--N 1.33 -0.247 0 O-C-N 121.711 -0.618 . . . . 70.719999999999999 110.8 178.91 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 59.520000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.64 -55.69 30.25 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 122.664 0.386 . . . . 89.170000000000002 111.849 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.07 -40.07 82.83 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.511 -0.476 . . . . 54.25 111.488 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.99 -51.34 64.24 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.771 -0.372 . . . . 49.439999999999998 111.469 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -63.3 -37.26 86.57 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.336 -0.546 . . . . 71.099999999999994 111.092 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.49 86.02 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.333 -0.547 . . . . 44.539999999999999 110.854 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -65.66 -30.9 71.65 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.071 -0.652 . . . . 40.020000000000003 111.437 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.14 -45.13 82.1 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.172 -0.611 . . . . 63.119999999999997 110.913 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.1 -31.25 68.75 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.147 -0.621 . . . . 90.739999999999995 111.21 174.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.5 -44.52 61.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 120.867 0.365 . . . . 35.049999999999997 110.455 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.23 77.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.207 -0.597 . . . . 34.189999999999998 111.065 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -66.77 -39.42 87.84 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.138 -0.625 . . . . 74.040000000000006 111.117 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.84 91.78 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.116 -0.634 . . . . 44.969999999999999 111.248 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -69.72 -29.07 66.37 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.732 -0.787 . . . . 34.689999999999998 111.559 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -69.1 -39.96 78.65 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.746 -0.782 . . . . 85.75 111.076 175.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.67 -36.16 82.0 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.137 -0.625 . . . . 91.299999999999997 110.923 173.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.99 -45.35 94.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 120.546 -0.462 . . . . 34.609999999999999 110.214 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.16 79.75 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.989 -0.444 . . . . 38.090000000000003 111.093 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -60.36 -40.02 89.28 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.886 -0.326 . . . . 50.920000000000002 111.188 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.99 94.31 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.651 -0.42 . . . . 38.539999999999999 111.416 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -71.73 -27.64 63.14 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.709 -0.797 . . . . 42.960000000000001 111.668 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.76 -44.78 80.51 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.246 -0.65 . . . . 75.969999999999999 109.246 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.9 mt -59.21 -48.39 87.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 114.416 -1.266 . . . . 42.43 109.464 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.77 69.74 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.315 -0.554 . . . . 44.920000000000002 111.14 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -69.85 -33.21 71.98 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.316 -0.553 . . . . 80.810000000000002 111.61 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.62 -32.69 71.54 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.319 -0.552 . . . . 58.200000000000003 111.515 178.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.08 -46.92 83.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.097 0.475 . . . . 68.760000000000005 110.27 178.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 C--N 1.33 -0.247 0 O-C-N 121.84 -0.537 . . . . 90.849999999999994 112.318 -177.629 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.019 . . . . . . . . 57.149999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.79 -48.36 81.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.702 0.26 . . . . 103.64 111.702 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.19 -48.01 72.08 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.131 -0.627 . . . . 53.859999999999999 111.065 -177.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.41 95.91 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.4 -0.52 . . . . 39.659999999999997 111.312 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -64.25 -39.6 94.29 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.62 -0.432 . . . . 89.730000000000004 111.028 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.24 86.95 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.541 -0.464 . . . . 42.740000000000002 111.171 179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -69.93 -28.61 65.73 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.72 -0.792 . . . . 38.149999999999999 111.678 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -69.16 -40.22 78.31 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.149 -0.62 . . . . 49.729999999999997 111.072 175.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.1 -33.99 77.02 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.418 -0.513 . . . . 55.0 111.404 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.77 -44.42 85.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.24 0.543 . . . . 34.259999999999998 110.091 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.76 84.62 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.982 -0.687 . . . . 31.390000000000001 110.633 178.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -43.7 77.53 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.345 -0.542 . . . . 78.819999999999993 111.028 178.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.37 -41.7 89.06 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.977 -0.689 . . . . 30.260000000000002 111.345 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.57 -31.21 72.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.85 -0.74 . . . . 34.490000000000002 111.313 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -64.97 -42.24 94.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.706 -0.398 . . . . 79.459999999999994 111.195 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -62.66 -38.01 88.64 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.402 -0.519 . . . . 79.709999999999994 111.065 174.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.9 -46.94 90.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.166 0.508 . . . . 32.579999999999998 110.282 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 -43.71 84.77 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.034 -0.666 . . . . 31.050000000000001 111.013 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -65.75 -33.94 77.04 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.433 -0.507 . . . . 58.270000000000003 111.703 177.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.71 87.8 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.547 -0.461 . . . . 34.649999999999999 111.28 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -73.44 -30.53 63.26 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.371 -0.932 . . . . 35.909999999999997 111.502 178.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -63.38 -40.95 98.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.839 -0.43 . . . . 61.829999999999998 109.839 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.51 -53.7 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 121.278 -0.889 . . . . 45.450000000000003 109.165 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.87 -39.91 75.2 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.118 -0.946 . . . . 33.090000000000003 111.422 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.28 -28.4 61.18 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 119.584 -0.846 . . . . 93.420000000000002 111.491 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.59 67.83 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.025 -0.67 . . . . 41.219999999999999 111.325 175.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.88 -41.61 46.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 120.832 0.348 . . . . 45.530000000000001 110.459 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 . . . . . 0 C--N 1.33 -0.247 0 O-C-N 121.711 -0.618 . . . . 70.719999999999999 110.8 178.91 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_