data_5w4i_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 5w4i _Structure_validation_residue.Date_analyzed 2017-11-17 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' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -78.6 145.67 34.61 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 108.033 -1.099 . . . . 72.359999999999999 108.033 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.9 mt -104.52 123.6 47.8 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.968 -0.753 . . . . 59.009999999999998 108.968 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . 0.54 HG11 ' I ' ' A' ' 104' ' ' IOD . 60.9 t -106.5 131.04 57.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 108.741 -0.837 . . . . 53.030000000000001 108.741 179.427 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -125.58 161.04 28.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.158 -0.928 . . . . 41.899999999999999 109.973 169.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.73 129.6 42.72 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.491 -0.929 . . . . 26.16 108.491 171.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.705 -0.48 . . . . 29.940000000000001 109.705 177.421 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ORN . . . . . 0.47 ' HB2' ' I ' ' A' ' 103' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.31 136.53 41.97 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 115.116 -0.947 . . . . 36.590000000000003 110.018 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.4 mm -93.73 131.77 39.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.772 -1.196 . . . . 34.289999999999999 107.772 169.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -122.45 124.45 70.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 108.553 -0.906 . . . . 42.229999999999997 108.553 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.27 114.17 3.33 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.651 -0.979 . . . . 19.93 110.651 172.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.26 146.86 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.288 0.566 . . . . 37.509999999999998 109.801 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 mtm -99.95 130.73 46.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 59.200000000000003 112.933 -173.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 103.685 -2.709 . . . . 36.350000000000001 103.685 176.827 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -75.96 156.43 34.15 Favored 'General case' 0 C--N 1.373 1.627 0 N-CA-C 106.578 -1.638 . . . . 91.629999999999995 106.578 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.65 126.99 50.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.799 -0.815 . . . . 54.149999999999999 108.799 -175.656 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . 0.438 HG11 ' I ' ' B' ' 102' ' ' IOD . 40.3 t -117.06 128.75 74.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.474 -0.565 . . . . 46.32 109.474 -177.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' MEA . . . . . 0.404 ' O ' ' C1 ' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -131.99 144.36 50.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.605 -0.725 . . . . 32.700000000000003 110.988 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.16 115.99 31.64 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.252 -1.018 . . . . 38.770000000000003 108.252 174.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 112.605 0.594 . . . . 69.280000000000001 112.605 -173.999 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.55 141.64 33.54 Favored 'General case' 0 C--N 1.372 1.577 0 CA-C-N 115.166 -0.925 . . . . 53.530000000000001 109.664 179.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.11 130.26 44.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 107.543 -1.28 . . . . 75.420000000000002 107.543 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.0 137.76 56.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 108.47 -0.937 . . . . 56.009999999999998 108.47 179.664 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.32 129.18 8.58 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.067 -1.213 . . . . 23.850000000000001 110.067 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 86.9 mt -113.38 141.02 47.56 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.98 0.419 . . . . 27.329999999999998 110.194 -178.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.01 145.21 24.89 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.531 -0.759 . . . . 67.040000000000006 109.909 -179.318 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.323 -0.579 1 C-N-CA 138.985 6.914 . . . . 43.43 105.634 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -76.48 146.17 38.71 Favored 'General case' 0 C--N 1.373 1.591 0 N-CA-C 105.532 -2.025 . . . . 68.700000000000003 105.532 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 40.0 tp -114.68 125.05 53.29 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.477 -0.934 . . . . 40.640000000000001 108.477 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -114.05 124.87 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.341 -0.615 . . . . 35.060000000000002 109.341 -175.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -129.4 154.73 46.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.369 -0.832 . . . . 38.859999999999999 110.33 174.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.8 132.58 53.33 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.691 -0.855 . . . . 31.57 108.691 172.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 114.538 1.31 . . . . 89.209999999999994 114.538 -173.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.67 151.78 20.74 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 115.843 -0.617 . . . . 39.700000000000003 110.346 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 88.1 mt -91.04 140.34 16.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.41 -0.959 . . . . 60.780000000000001 108.41 173.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -128.43 121.34 55.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 107.561 -1.274 . . . . 85.060000000000002 107.561 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.32 117.85 5.67 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.63 -0.988 . . . . 21.440000000000001 110.63 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 48.6 mt -113.72 154.7 26.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.46 0.648 . . . . 30.879999999999999 109.549 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' MET . . . . . . . . . . . . . 62.2 mtt -122.43 156.35 34.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.738 1.014 . . . . 39.729999999999997 113.738 -169.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.324 -0.528 1 C-N-CA 136.918 6.087 . . . . 36.090000000000003 106.468 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' IOD . . . . . 0.47 ' I ' ' HB2' ' A' ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' IOD . . . . . 0.54 ' I ' HG11 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' IOD . . . . . 0.438 ' I ' HG11 ' B' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -78.6 145.67 34.61 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 108.033 -1.099 . . . . 60.299999999999997 108.033 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.9 mt -104.52 123.6 47.8 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.968 -0.753 . . . . 49.18 108.968 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . 0.541 HG11 ' I ' ' A' ' 104' ' ' IOD . 60.9 t -106.5 131.04 57.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 108.741 -0.837 . . . . 44.189999999999998 108.741 179.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' MEA . . . . . 0.572 ' O ' ' HC3' ' A' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -125.58 161.04 28.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.158 -0.928 . . . . 34.920000000000002 109.973 169.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.73 129.6 42.72 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.491 -0.929 . . . . 23.0 108.491 171.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.705 -0.48 . . . . 28.739999999999998 109.705 177.421 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.31 136.53 41.97 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 115.116 -0.947 . . . . 30.489999999999998 110.018 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.4 mm -93.73 131.77 39.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.772 -1.196 . . . . 28.57 107.772 169.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -122.45 124.45 70.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 108.553 -0.906 . . . . 35.200000000000003 108.553 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.27 114.17 3.33 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.651 -0.979 . . . . 17.440000000000001 110.651 172.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.26 146.86 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.288 0.566 . . . . 31.260000000000002 109.801 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 mtm -99.95 130.73 46.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 52.0 112.933 -173.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 103.685 -2.709 . . . . 33.520000000000003 103.685 176.827 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -75.96 156.43 34.15 Favored 'General case' 0 C--N 1.373 1.627 0 N-CA-C 106.578 -1.638 . . . . 76.359999999999999 106.578 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.65 126.99 50.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.799 -0.815 . . . . 45.130000000000003 108.799 -175.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . 0.439 HG11 ' I ' ' B' ' 102' ' ' IOD . 40.3 t -117.06 128.75 74.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.474 -0.565 . . . . 38.600000000000001 109.474 -177.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' MEA . . . . . 0.625 ' O ' ' HC3' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -131.99 144.36 50.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.605 -0.725 . . . . 32.700000000000003 110.988 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.16 115.99 31.64 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.252 -1.018 . . . . 32.299999999999997 108.252 174.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 112.605 0.594 . . . . 69.280000000000001 112.605 -173.999 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.55 141.64 33.54 Favored 'General case' 0 C--N 1.372 1.577 0 CA-C-N 115.166 -0.925 . . . . 44.609999999999999 109.664 179.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.11 130.26 44.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 107.543 -1.28 . . . . 62.850000000000001 107.543 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.0 137.76 56.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 108.47 -0.937 . . . . 46.68 108.47 179.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.32 129.18 8.58 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.067 -1.213 . . . . 23.850000000000001 110.067 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 86.9 mt -113.38 141.02 47.56 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.98 0.419 . . . . 22.77 110.194 -178.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.01 145.21 24.89 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.531 -0.759 . . . . 59.030000000000001 109.909 -179.318 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.323 -0.579 1 C-N-CA 138.985 6.914 . . . . 36.189999999999998 105.634 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -76.48 146.17 38.71 Favored 'General case' 0 C--N 1.373 1.591 0 N-CA-C 105.532 -2.025 . . . . 57.25 105.532 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 40.0 tp -114.68 125.05 53.29 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.477 -0.934 . . . . 33.859999999999999 108.477 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -114.05 124.87 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.341 -0.615 . . . . 29.210000000000001 109.341 -175.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' MEA . . . . . 0.585 ' HC3' ' O ' ' C' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -129.4 154.73 46.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.369 -0.832 . . . . 32.380000000000003 110.33 174.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.8 132.58 53.33 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.691 -0.855 . . . . 31.57 108.691 172.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 114.538 1.31 . . . . 89.209999999999994 114.538 -173.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.67 151.78 20.74 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 115.843 -0.617 . . . . 33.090000000000003 110.346 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 88.1 mt -91.04 140.34 16.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.41 -0.959 . . . . 50.649999999999999 108.41 173.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -128.43 121.34 55.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 107.561 -1.274 . . . . 70.879999999999995 107.561 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.32 117.85 5.67 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.63 -0.988 . . . . 17.870000000000001 110.63 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 48.6 mt -113.72 154.7 26.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.46 0.648 . . . . 25.73 109.549 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' MET . . . . . . . . . . . . . 62.2 mtt -122.43 156.35 34.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.738 1.014 . . . . 33.109999999999999 113.738 -169.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.324 -0.528 1 C-N-CA 136.918 6.087 . . . . 30.07 106.468 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' IOD . . . . . 0.541 ' I ' HG11 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' IOD . . . . . 0.439 ' I ' HG11 ' B' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -78.6 145.67 34.61 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 108.033 -1.099 . . . . 60.299999999999997 108.033 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.9 mt -104.52 123.6 47.8 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.968 -0.753 . . . . 49.18 108.968 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.541 HG11 ' I ' ' A' ' 104' ' ' IOD . 60.9 t -106.5 131.04 57.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 108.741 -0.837 . . . . 44.189999999999998 108.741 179.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' MEA . . . . . 0.572 ' O ' ' HC3' ' A' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -125.58 161.04 28.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.158 -0.928 . . . . 34.920000000000002 109.973 169.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.73 129.6 42.72 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.491 -0.929 . . . . 23.0 108.491 171.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.705 -0.48 . . . . 28.739999999999998 109.705 177.421 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.31 136.53 41.97 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 115.116 -0.947 . . . . 30.489999999999998 110.018 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.4 mm -93.73 131.77 39.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.772 -1.196 . . . . 28.57 107.772 169.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -122.45 124.45 70.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 108.553 -0.906 . . . . 35.200000000000003 108.553 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.27 114.17 3.33 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.651 -0.979 . . . . 17.440000000000001 110.651 172.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.26 146.86 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.288 0.566 . . . . 31.260000000000002 109.801 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.0 mtm -99.95 130.73 46.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 52.0 112.933 -173.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 103.685 -2.709 . . . . 33.520000000000003 103.685 176.827 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -75.96 156.43 34.15 Favored 'General case' 0 C--N 1.373 1.627 0 N-CA-C 106.578 -1.638 . . . . 76.359999999999999 106.578 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.65 126.99 50.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.799 -0.815 . . . . 45.130000000000003 108.799 -175.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.439 HG11 ' I ' ' B' ' 102' ' ' IOD . 40.3 t -117.06 128.75 74.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.474 -0.565 . . . . 38.600000000000001 109.474 -177.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' MEA . . . . . 0.625 ' O ' ' HC3' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -131.99 144.36 50.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.605 -0.725 . . . . 32.700000000000003 110.988 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.16 115.99 31.64 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.252 -1.018 . . . . 32.299999999999997 108.252 174.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 112.605 0.594 . . . . 69.280000000000001 112.605 -173.999 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.55 141.64 33.54 Favored 'General case' 0 C--N 1.372 1.577 0 CA-C-N 115.166 -0.925 . . . . 44.609999999999999 109.664 179.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.11 130.26 44.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 107.543 -1.28 . . . . 62.850000000000001 107.543 174.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.0 137.76 56.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 108.47 -0.937 . . . . 46.68 108.47 179.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.32 129.18 8.58 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.067 -1.213 . . . . 23.850000000000001 110.067 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 86.9 mt -113.38 141.02 47.56 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.98 0.419 . . . . 22.77 110.194 -178.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.01 145.21 24.89 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.531 -0.759 . . . . 59.030000000000001 109.909 -179.318 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.323 -0.579 1 C-N-CA 138.985 6.914 . . . . 36.189999999999998 105.634 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -76.48 146.17 38.71 Favored 'General case' 0 C--N 1.373 1.591 0 N-CA-C 105.532 -2.025 . . . . 57.25 105.532 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 40.0 tp -114.68 125.05 53.29 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.477 -0.934 . . . . 33.859999999999999 108.477 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -114.05 124.87 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.341 -0.615 . . . . 29.210000000000001 109.341 -175.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' MEA . . . . . 0.585 ' HC3' ' O ' ' C' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -129.4 154.73 46.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.369 -0.832 . . . . 32.380000000000003 110.33 174.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.8 132.58 53.33 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.691 -0.855 . . . . 31.57 108.691 172.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 114.538 1.31 . . . . 89.209999999999994 114.538 -173.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.67 151.78 20.74 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 115.843 -0.617 . . . . 33.090000000000003 110.346 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 88.1 mt -91.04 140.34 16.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.41 -0.959 . . . . 50.649999999999999 108.41 173.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -128.43 121.34 55.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 107.561 -1.274 . . . . 70.879999999999995 107.561 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.32 117.85 5.67 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.63 -0.988 . . . . 17.870000000000001 110.63 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 48.6 mt -113.72 154.7 26.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.46 0.648 . . . . 25.73 109.549 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' MET . . . . . . . . . . . . . 62.2 mtt -122.43 156.35 34.22 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.738 1.014 . . . . 33.109999999999999 113.738 -169.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.324 -0.528 1 C-N-CA 136.918 6.087 . . . . 30.07 106.468 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' IOD . . . . . 0.541 ' I ' HG11 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' IOD . . . . . 0.439 ' I ' HG11 ' B' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' IOD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_