data_5u5b_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 5u5b _Structure_validation_residue.Date_analyzed 2017-03-07 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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 126.73 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -129.29 -68.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.99 -0.374 . . . . 111.31999999999999 109.99 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 mt -72.98 -36.04 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.061 -1.088 . . . . 102.61 108.061 173.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.81 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 90.870000000000005 109.828 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.4 mt -65.17 -41.11 90.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 116.023 -0.535 . . . . 79.079999999999998 110.584 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -61.33 -39.72 91.57 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.9 -0.5 . . . . 99.799999999999997 111.325 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -68.37 -27.64 66.42 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.233 -0.587 . . . . 92.209999999999994 111.567 179.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -73.52 -41.48 62.97 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.192 -0.603 . . . . 118.14 111.139 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.2 mt -63.35 -41.97 94.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.958 0.409 . . . . 66.849999999999994 110.568 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -67.74 -35.63 79.1 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.056 -0.657 . . . . 105.67 111.216 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 -32.44 70.9 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.067 -0.653 . . . . 64.689999999999998 111.601 174.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.85 -40.81 79.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.749 -0.38 . . . . 66.120000000000005 110.515 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.75 -36.49 79.05 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.87 -0.519 . . . . 89.25 111.468 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -72.22 -35.78 68.97 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.366 -0.534 . . . . 89.890000000000001 111.412 -177.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.04 -39.05 83.15 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.145 -0.622 . . . . 77.819999999999993 111.253 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.58 -34.88 67.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.771 -0.372 . . . . 60.020000000000003 110.587 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.41 87.21 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.275 -0.57 . . . . 58.359999999999999 111.144 175.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -69.96 -32.77 71.17 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.548 -0.461 . . . . 84.680000000000007 111.867 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.0 mt -66.69 -40.13 85.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.708 -0.397 . . . . 57.299999999999997 110.48 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.23 -40.63 98.0 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.405 -0.518 . . . . 68.599999999999994 111.35 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.43 -36.35 81.05 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.304 -0.558 . . . . 95.640000000000001 111.257 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -67.6 -39.05 84.81 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.261 -0.576 . . . . 69.140000000000001 111.194 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.87 -39.48 85.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.639 -0.424 . . . . 52.759999999999998 110.398 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.94 74.81 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.946 -0.471 . . . . 60.850000000000001 110.924 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.1 mt -73.6 -35.45 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 77.840000000000003 110.296 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.29 -38.95 93.15 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.337 -0.545 . . . . 73.530000000000001 111.263 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.0 -37.16 83.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 107.48 111.395 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 64.560000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 102.51000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.29 -35.53 81.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 105.12 110.876 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.04 -35.27 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 94.980000000000004 109.777 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.7 -33.03 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 93.340000000000003 110.684 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.11 -42.29 79.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 116.102 -0.499 . . . . 77.799999999999997 110.429 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.34 -26.64 68.55 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.184 -0.606 . . . . 97.769999999999996 111.379 173.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -73.15 -44.25 60.32 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.327 -0.549 . . . . 103.20999999999999 111.405 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -66.05 -38.51 88.53 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.337 -0.545 . . . . 110.23999999999999 111.176 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.51 -38.87 83.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.66 -0.416 . . . . 72.849999999999994 110.549 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -67.86 -34.31 76.44 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.317 -0.553 . . . . 92.780000000000001 111.342 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.98 69.65 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.192 -0.603 . . . . 60.170000000000002 111.14 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.81 -41.93 93.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 120.975 0.417 . . . . 62.799999999999997 110.45 177.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -64.02 -37.75 88.56 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.314 -0.555 . . . . 84.599999999999994 111.287 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . . . -68.64 -35.48 77.33 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.313 -0.555 . . . . 60.829999999999998 111.24 178.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -73.22 -36.66 66.51 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.418 -0.513 . . . . 108.40000000000001 111.167 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -67.85 -37.0 77.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.564 -0.454 . . . . 58.850000000000001 110.493 176.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.39 89.37 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.396 -0.522 . . . . 52.170000000000002 111.197 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -70.52 -33.32 71.05 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.301 -0.559 . . . . 94.609999999999999 111.771 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mt -65.02 -39.45 85.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.67 -0.412 . . . . 54.140000000000001 110.33 176.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -65.97 -30.51 71.08 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.267 -0.573 . . . . 80.019999999999996 111.885 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -68.14 -39.63 82.62 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.056 -0.658 . . . . 79.0 111.224 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -66.74 -38.46 86.68 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.08 -0.648 . . . . 74.930000000000007 111.035 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.34 -41.02 90.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-O 120.969 0.414 . . . . 59.990000000000002 110.502 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.99 82.89 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.88 -0.513 . . . . 65.579999999999998 110.521 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.43 -34.08 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 66.950000000000003 110.131 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.41 -40.11 96.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.459 -0.496 . . . . 82.340000000000003 111.386 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.37 -41.5 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.093 -0.379 . . . . 102.51000000000001 110.857 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.079999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 93.459999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.07 -41.99 98.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.719 0.295 . . . . 115.39 110.498 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 25.9 mt -66.45 -39.71 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 90.359999999999999 110.243 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.68 -31.41 59.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 78.980000000000004 111.423 -179.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 44.2 mt -70.57 -43.73 77.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.505 -0.478 . . . . 72.560000000000002 110.547 178.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.25 -38.46 89.34 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.246 -0.582 . . . . 113.09999999999999 111.047 175.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . . . -62.9 -39.16 93.65 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.55 -0.46 . . . . 74.540000000000006 111.237 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -71.55 -39.64 70.53 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 120.217 -0.593 . . . . 74.480000000000004 111.195 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.2 -40.49 87.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.607 -0.437 . . . . 76.349999999999994 110.595 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -62.94 -36.12 82.37 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.33 -0.548 . . . . 135.40000000000001 111.194 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.21 -32.78 65.0 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.317 -0.553 . . . . 60.710000000000001 111.633 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mt -69.39 -41.27 80.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 120.463 -0.495 . . . . 64.209999999999994 110.486 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -58.06 -44.99 87.79 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.979 -0.451 . . . . 99.469999999999999 111.216 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -63.78 -35.05 79.31 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.514 -0.474 . . . . 109.36 110.966 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -69.91 -38.98 76.43 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.559 -0.456 . . . . 79.310000000000002 111.14 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -66.14 -40.53 87.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.767 -0.373 . . . . 53.469999999999999 110.659 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -36.82 85.47 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.297 -0.561 . . . . 55.710000000000001 111.231 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.32 -36.68 83.55 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.329 -0.548 . . . . 95.680000000000007 111.163 175.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.35 -41.39 86.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 120.585 -0.446 . . . . 51.359999999999999 110.648 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.78 -40.77 97.48 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.858 -0.526 . . . . 81.439999999999998 111.387 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.6 -43.87 83.68 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.346 -0.542 . . . . 94.010000000000005 111.4 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -69.15 -34.65 75.33 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 112.114 0.413 . . . . 63.609999999999999 112.114 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -63.65 -38.17 81.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.9 0.381 . . . . 78.489999999999995 110.461 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -29.26 69.25 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.924 -0.485 . . . . 61.049999999999997 111.394 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 51.9 mt -63.97 133.07 29.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 72.719999999999999 111.285 -178.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . . . -115.5 122.56 46.1 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 107.697 -1.223 . . . . 109.17 107.697 169.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -53.12 -40.89 64.52 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.673 0.62 . . . . 118.34 112.673 -174.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.368 -0.378 . . . . 109.33 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' 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 orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 126.73 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -129.29 -68.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.99 -0.374 . . . . 111.31999999999999 109.99 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 mt -72.98 -36.04 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.061 -1.088 . . . . 102.61 108.061 173.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -62.18 -40.81 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 90.870000000000005 109.828 176.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.4 mt -65.17 -41.11 90.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 116.023 -0.535 . . . . 79.079999999999998 110.584 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -61.33 -39.72 91.57 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.9 -0.5 . . . . 99.799999999999997 111.325 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -68.37 -27.64 66.42 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.233 -0.587 . . . . 92.209999999999994 111.567 179.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 4' ' ' ALA . 12.7 mm-40 -73.52 -41.48 62.97 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.192 -0.603 . . . . 118.14 111.139 177.017 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.2 mt -63.35 -41.97 94.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.958 0.409 . . . . 66.849999999999994 110.568 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -67.74 -35.63 79.1 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.056 -0.657 . . . . 105.67 111.216 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 -32.44 70.9 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.067 -0.653 . . . . 64.689999999999998 111.601 174.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.85 -40.81 79.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.749 -0.38 . . . . 66.120000000000005 110.515 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.75 -36.49 79.05 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.87 -0.519 . . . . 89.25 111.468 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -72.22 -35.78 68.97 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.366 -0.534 . . . . 89.890000000000001 111.412 -177.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.04 -39.05 83.15 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.145 -0.622 . . . . 77.819999999999993 111.253 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.58 -34.88 67.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.771 -0.372 . . . . 60.020000000000003 110.587 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.41 87.21 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.275 -0.57 . . . . 58.359999999999999 111.144 175.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -69.96 -32.77 71.17 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.548 -0.461 . . . . 84.680000000000007 111.867 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.0 mt -66.69 -40.13 85.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.708 -0.397 . . . . 57.299999999999997 110.48 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.23 -40.63 98.0 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.405 -0.518 . . . . 68.599999999999994 111.35 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.43 -36.35 81.05 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.304 -0.558 . . . . 95.640000000000001 111.257 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -67.6 -39.05 84.81 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.261 -0.576 . . . . 69.140000000000001 111.194 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.87 -39.48 85.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.639 -0.424 . . . . 52.759999999999998 110.398 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.94 74.81 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.946 -0.471 . . . . 60.850000000000001 110.924 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.1 mt -73.6 -35.45 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 77.840000000000003 110.296 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.29 -38.95 93.15 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.337 -0.545 . . . . 73.530000000000001 111.263 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.0 -37.16 83.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 107.48 111.395 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 64.560000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 102.51000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.29 -35.53 81.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 105.12 110.876 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.04 -35.27 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 94.980000000000004 109.777 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.7 -33.03 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 93.340000000000003 110.684 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.11 -42.29 79.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 116.102 -0.499 . . . . 77.799999999999997 110.429 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.34 -26.64 68.55 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.184 -0.606 . . . . 97.769999999999996 111.379 173.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -73.15 -44.25 60.32 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.327 -0.549 . . . . 103.20999999999999 111.405 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -66.05 -38.51 88.53 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.337 -0.545 . . . . 110.23999999999999 111.176 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.51 -38.87 83.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.66 -0.416 . . . . 72.849999999999994 110.549 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -67.86 -34.31 76.44 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.317 -0.553 . . . . 92.780000000000001 111.342 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.98 69.65 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.192 -0.603 . . . . 60.170000000000002 111.14 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.81 -41.93 93.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 120.975 0.417 . . . . 62.799999999999997 110.45 177.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -64.02 -37.75 88.56 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.314 -0.555 . . . . 84.599999999999994 111.287 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . . . -68.64 -35.48 77.33 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.313 -0.555 . . . . 60.829999999999998 111.24 178.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -73.22 -36.66 66.51 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.418 -0.513 . . . . 108.40000000000001 111.167 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -67.85 -37.0 77.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.564 -0.454 . . . . 58.850000000000001 110.493 176.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.39 89.37 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.396 -0.522 . . . . 52.170000000000002 111.197 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -70.52 -33.32 71.05 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.301 -0.559 . . . . 94.609999999999999 111.771 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mt -65.02 -39.45 85.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.67 -0.412 . . . . 54.140000000000001 110.33 176.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -65.97 -30.51 71.08 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.267 -0.573 . . . . 80.019999999999996 111.885 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -68.14 -39.63 82.62 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.056 -0.658 . . . . 79.0 111.224 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -66.74 -38.46 86.68 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.08 -0.648 . . . . 74.930000000000007 111.035 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.34 -41.02 90.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-O 120.969 0.414 . . . . 59.990000000000002 110.502 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.99 82.89 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.88 -0.513 . . . . 65.579999999999998 110.521 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.43 -34.08 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 66.950000000000003 110.131 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.41 -40.11 96.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.459 -0.496 . . . . 82.340000000000003 111.386 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.37 -41.5 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.093 -0.379 . . . . 102.51000000000001 110.857 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.079999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 93.459999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.07 -41.99 98.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.719 0.295 . . . . 115.39 110.498 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 25.9 mt -66.45 -39.71 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 90.359999999999999 110.243 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.68 -31.41 59.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 78.980000000000004 111.423 -179.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 44.2 mt -70.57 -43.73 77.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.505 -0.478 . . . . 72.560000000000002 110.547 178.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.25 -38.46 89.34 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.246 -0.582 . . . . 113.09999999999999 111.047 175.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . . . -62.9 -39.16 93.65 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.55 -0.46 . . . . 74.540000000000006 111.237 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -71.55 -39.64 70.53 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 120.217 -0.593 . . . . 74.480000000000004 111.195 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.2 -40.49 87.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.607 -0.437 . . . . 76.349999999999994 110.595 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -62.94 -36.12 82.37 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.33 -0.548 . . . . 135.40000000000001 111.194 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.21 -32.78 65.0 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.317 -0.553 . . . . 60.710000000000001 111.633 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mt -69.39 -41.27 80.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 120.463 -0.495 . . . . 64.209999999999994 110.486 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -58.06 -44.99 87.79 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.979 -0.451 . . . . 99.469999999999999 111.216 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -63.78 -35.05 79.31 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.514 -0.474 . . . . 109.36 110.966 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -69.91 -38.98 76.43 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.559 -0.456 . . . . 79.310000000000002 111.14 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -66.14 -40.53 87.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.767 -0.373 . . . . 53.469999999999999 110.659 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -36.82 85.47 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.297 -0.561 . . . . 55.710000000000001 111.231 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.32 -36.68 83.55 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.329 -0.548 . . . . 95.680000000000007 111.163 175.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.35 -41.39 86.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 120.585 -0.446 . . . . 51.359999999999999 110.648 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.78 -40.77 97.48 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.858 -0.526 . . . . 81.439999999999998 111.387 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.6 -43.87 83.68 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.346 -0.542 . . . . 94.010000000000005 111.4 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -69.15 -34.65 75.33 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 112.114 0.413 . . . . 63.609999999999999 112.114 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -63.65 -38.17 81.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.9 0.381 . . . . 78.489999999999995 110.461 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -29.26 69.25 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.924 -0.485 . . . . 61.049999999999997 111.394 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 51.9 mt -63.97 133.07 29.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 72.719999999999999 111.285 -178.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . . . -115.5 122.56 46.1 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 107.697 -1.223 . . . . 109.17 107.697 169.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -53.12 -40.89 64.52 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.673 0.62 . . . . 118.34 112.673 -174.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.368 -0.378 . . . . 109.33 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' 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 build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 126.73 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -129.29 -68.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.99 -0.374 . . . . 111.31999999999999 109.99 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 mt -72.98 -36.04 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.061 -1.088 . . . . 102.61 108.061 173.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -62.18 -40.81 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 90.870000000000005 109.828 176.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.4 mt -65.17 -41.11 90.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 116.023 -0.535 . . . . 79.079999999999998 110.584 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -61.33 -39.72 91.57 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.9 -0.5 . . . . 99.799999999999997 111.325 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -68.37 -27.64 66.42 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.233 -0.587 . . . . 92.209999999999994 111.567 179.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 4' ' ' ALA . 12.7 mm-40 -73.52 -41.48 62.97 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.192 -0.603 . . . . 118.14 111.139 177.017 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.2 mt -63.35 -41.97 94.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.958 0.409 . . . . 66.849999999999994 110.568 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -67.74 -35.63 79.1 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.056 -0.657 . . . . 105.67 111.216 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 -32.44 70.9 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.067 -0.653 . . . . 64.689999999999998 111.601 174.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.85 -40.81 79.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.749 -0.38 . . . . 66.120000000000005 110.515 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.75 -36.49 79.05 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.87 -0.519 . . . . 89.25 111.468 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -72.22 -35.78 68.97 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.366 -0.534 . . . . 89.890000000000001 111.412 -177.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.04 -39.05 83.15 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.145 -0.622 . . . . 77.819999999999993 111.253 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.58 -34.88 67.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.771 -0.372 . . . . 60.020000000000003 110.587 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.41 87.21 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.275 -0.57 . . . . 58.359999999999999 111.144 175.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -69.96 -32.77 71.17 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.548 -0.461 . . . . 84.680000000000007 111.867 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.0 mt -66.69 -40.13 85.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.708 -0.397 . . . . 57.299999999999997 110.48 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.23 -40.63 98.0 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.405 -0.518 . . . . 68.599999999999994 111.35 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.43 -36.35 81.05 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.304 -0.558 . . . . 95.640000000000001 111.257 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -67.6 -39.05 84.81 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.261 -0.576 . . . . 69.140000000000001 111.194 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.87 -39.48 85.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.639 -0.424 . . . . 52.759999999999998 110.398 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.94 74.81 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.946 -0.471 . . . . 60.850000000000001 110.924 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.1 mt -73.6 -35.45 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 77.840000000000003 110.296 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.29 -38.95 93.15 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.337 -0.545 . . . . 73.530000000000001 111.263 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.0 -37.16 83.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 107.48 111.395 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 64.560000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 102.51000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.29 -35.53 81.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 105.12 110.876 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.04 -35.27 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 94.980000000000004 109.777 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.7 -33.03 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 93.340000000000003 110.684 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.11 -42.29 79.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 116.102 -0.499 . . . . 77.799999999999997 110.429 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.34 -26.64 68.55 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.184 -0.606 . . . . 97.769999999999996 111.379 173.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -73.15 -44.25 60.32 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.327 -0.549 . . . . 103.20999999999999 111.405 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -66.05 -38.51 88.53 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.337 -0.545 . . . . 110.23999999999999 111.176 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.51 -38.87 83.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.66 -0.416 . . . . 72.849999999999994 110.549 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -67.86 -34.31 76.44 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.317 -0.553 . . . . 92.780000000000001 111.342 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.98 69.65 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.192 -0.603 . . . . 60.170000000000002 111.14 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.81 -41.93 93.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 120.975 0.417 . . . . 62.799999999999997 110.45 177.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -64.02 -37.75 88.56 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.314 -0.555 . . . . 84.599999999999994 111.287 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . . . -68.64 -35.48 77.33 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.313 -0.555 . . . . 60.829999999999998 111.24 178.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -73.22 -36.66 66.51 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.418 -0.513 . . . . 108.40000000000001 111.167 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -67.85 -37.0 77.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.564 -0.454 . . . . 58.850000000000001 110.493 176.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.39 89.37 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.396 -0.522 . . . . 52.170000000000002 111.197 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -70.52 -33.32 71.05 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.301 -0.559 . . . . 94.609999999999999 111.771 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mt -65.02 -39.45 85.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.67 -0.412 . . . . 54.140000000000001 110.33 176.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -65.97 -30.51 71.08 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.267 -0.573 . . . . 80.019999999999996 111.885 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -68.14 -39.63 82.62 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.056 -0.658 . . . . 79.0 111.224 177.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -66.74 -38.46 86.68 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.08 -0.648 . . . . 74.930000000000007 111.035 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.34 -41.02 90.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-O 120.969 0.414 . . . . 59.990000000000002 110.502 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.99 82.89 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.88 -0.513 . . . . 65.579999999999998 110.521 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.43 -34.08 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 66.950000000000003 110.131 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.41 -40.11 96.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.459 -0.496 . . . . 82.340000000000003 111.386 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.37 -41.5 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.093 -0.379 . . . . 102.51000000000001 110.857 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.079999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 93.459999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.07 -41.99 98.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.719 0.295 . . . . 115.39 110.498 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 25.9 mt -66.45 -39.71 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 90.359999999999999 110.243 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.68 -31.41 59.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 78.980000000000004 111.423 -179.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 44.2 mt -70.57 -43.73 77.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.505 -0.478 . . . . 72.560000000000002 110.547 178.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.25 -38.46 89.34 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.246 -0.582 . . . . 113.09999999999999 111.047 175.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . . . -62.9 -39.16 93.65 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.55 -0.46 . . . . 74.540000000000006 111.237 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -71.55 -39.64 70.53 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 120.217 -0.593 . . . . 74.480000000000004 111.195 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.2 -40.49 87.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.607 -0.437 . . . . 76.349999999999994 110.595 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -62.94 -36.12 82.37 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.33 -0.548 . . . . 135.40000000000001 111.194 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.21 -32.78 65.0 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.317 -0.553 . . . . 60.710000000000001 111.633 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mt -69.39 -41.27 80.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 120.463 -0.495 . . . . 64.209999999999994 110.486 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -58.06 -44.99 87.79 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.979 -0.451 . . . . 99.469999999999999 111.216 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -63.78 -35.05 79.31 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.514 -0.474 . . . . 109.36 110.966 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -69.91 -38.98 76.43 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.559 -0.456 . . . . 79.310000000000002 111.14 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -66.14 -40.53 87.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.767 -0.373 . . . . 53.469999999999999 110.659 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -36.82 85.47 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.297 -0.561 . . . . 55.710000000000001 111.231 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.32 -36.68 83.55 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.329 -0.548 . . . . 95.680000000000007 111.163 175.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.35 -41.39 86.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 120.585 -0.446 . . . . 51.359999999999999 110.648 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.78 -40.77 97.48 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.858 -0.526 . . . . 81.439999999999998 111.387 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.6 -43.87 83.68 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.346 -0.542 . . . . 94.010000000000005 111.4 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -69.15 -34.65 75.33 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 112.114 0.413 . . . . 63.609999999999999 112.114 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -63.65 -38.17 81.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.9 0.381 . . . . 78.489999999999995 110.461 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -29.26 69.25 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.924 -0.485 . . . . 61.049999999999997 111.394 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' 7WJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 51.9 mt -63.97 133.07 29.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 72.719999999999999 111.285 -178.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . . . -115.5 122.56 46.1 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 107.697 -1.223 . . . . 109.17 107.697 169.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -53.12 -40.89 64.52 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.673 0.62 . . . . 118.34 112.673 -174.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.368 -0.378 . . . . 109.33 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' 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 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_