data_6q5k_residue ############################ # Computer software used # ############################ 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 6q5k _Structure_validation_residue.Date_analyzed 2019-05-17 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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.465 . . . . . . . . 33.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 55.69 -139.69 42.14 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 126.286 2.241 . . . . 30.17 114.681 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -73.49 -29.12 62.3 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.505 1.122 . . . . 27.85 109.077 -174.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.0 mt -65.61 -37.51 86.82 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 119.15 -0.452 . . . . 30.05 109.931 -175.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.38 -46.42 90.02 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 118.414 0.552 . . . . 41.17 109.917 173.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.66 92.86 Favored 'General case' 0 C--O 1.258 1.539 0 CA-C-N 118.969 0.804 . . . . 24.41 109.364 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.15 -47.41 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 108.578 -0.897 . . . . 23.2 108.578 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.02 -40.49 70.23 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.113 -0.992 . . . . 22.57 110.417 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.41 -39.28 91.98 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.722 -0.791 . . . . 35.91 109.58 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.32 -44.31 95.57 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-N 118.223 0.465 . . . . 24.05 110.101 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.99 -42.87 99.26 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.449 -0.782 . . . . 21.16 110.824 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -65.82 -36.23 82.9 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 116.988 -1.482 . . . . 45.58 109.881 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.65 93.38 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.036 0.835 . . . . 24.07 110.633 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.23 -41.67 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-O 117.409 -1.281 . . . . 21.77 108.089 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.19 87.49 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 107.416 -1.327 . . . . 23.85 107.416 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -63.14 -43.13 99.23 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 117.612 -1.185 . . . . 49.71 109.45 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -59.19 -40.82 86.94 Favored 'General case' 0 C--O 1.27 2.148 0 CA-C-O 117.899 -1.048 . . . . 31.32 111.105 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.55 -38.74 81.04 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 106.275 -1.75 . . . . 26.21 106.275 -172.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -68.41 -36.83 79.67 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 124.576 1.172 . . . . 46.17 110.279 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.02 97.6 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 117.07 -1.443 . . . . 38.23 109.232 174.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.61 -43.36 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 CA-C-N 120.076 1.307 . . . . 36.93 109.362 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.72 72.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 117.413 -1.279 . . . . 39.88 108.131 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -82.59 -2.87 55.02 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 117.789 -1.101 . . . . 51.79 112.886 -166.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.36 -84.08 0.46 Allowed 'General case' 0 C--O 1.26 1.607 0 CA-C-O 116.501 -1.714 . . . . 88.49 109.512 165.081 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mptt . . . . . 0 N--CA 1.491 1.621 0 O-C-N 125.944 2.027 . . . . 95.88 109.213 -170.92 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.191 -1.996 . . . . . . . . 42.31 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -34.01 -61.26 0.52 Allowed Glycine 1 N--CA 1.529 4.864 0 C-N-CA 128.183 2.801 . . . . 45.63 113.246 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -61.8 -47.76 83.68 Favored 'General case' 0 C--O 1.267 2.016 0 CA-C-N 120.385 2.093 . . . . 40.99 109.969 -176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.43 -39.31 92.91 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 109.007 -0.738 . . . . 30.39 109.007 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -63.72 -43.28 97.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.122 -0.631 . . . . 44.29 109.666 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.72 95.36 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 121.343 -0.848 . . . . 24.0 111.971 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.41 -36.93 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 C-N-CA 118.832 -1.147 . . . . 25.76 111.054 174.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.86 91.0 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.261 -1.524 . . . . 22.63 109.935 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' B' ' 202' ' ' HOH . 12.6 tm0? -71.59 -26.87 62.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.609 -0.682 . . . . 24.23 109.63 177.999 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.96 -42.6 84.92 Favored 'General case' 0 C--O 1.18 -2.585 0 CA-C-N 115.653 -0.703 . . . . 23.41 109.543 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.28 -41.08 86.08 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 118.023 -0.989 . . . . 23.7 109.964 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -62.88 -38.87 92.6 Favored 'General case' 0 C--O 1.257 1.453 0 C-N-CA 118.999 -1.081 . . . . 40.44 109.09 176.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.38 95.36 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 121.518 -0.739 . . . . 21.19 109.401 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -66.41 -40.45 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 N-CA-C 107.88 -1.155 . . . . 22.25 107.88 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.98 -44.81 78.9 Favored 'General case' 0 C--O 1.273 2.328 0 O-C-N 121.041 -1.037 . . . . 21.81 110.609 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . 0.633 ' NZ ' ' CB ' ' B' ' 15' ' ' LYS . 43.1 mtpt -68.96 -29.53 67.77 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.523 -0.917 . . . . 29.83 108.523 176.537 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -71.66 -40.47 69.62 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.892 0.877 . . . . 26.19 109.626 -174.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.13 -40.36 94.32 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.011 -1.471 . . . . 25.75 110.067 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -66.26 -34.37 77.86 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 119.157 0.89 . . . . 34.41 110.602 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' B' ' 23' ' ' GLU . . . -67.89 -41.53 82.59 Favored 'General case' 0 C--O 1.265 1.92 0 N-CA-C 107.51 -1.292 . . . . 28.13 107.51 -179.684 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.14 -50.86 75.03 Favored 'Isoleucine or valine' 0 C--O 1.262 1.741 0 N-CA-C 108.508 -0.923 . . . . 29.18 108.508 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.45 -46.69 69.97 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.293 -1.002 . . . . 33.01 108.293 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -64.15 -50.48 68.04 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-O 117.271 -1.347 . . . . 39.72 111.247 -177.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' B' ' 19' ' ' ALA . 2.0 mm-40 -52.08 -47.88 64.96 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 126.005 1.722 . . . . 69.53 107.881 178.298 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -60.08 -52.74 64.08 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 117.881 -1.057 . . . . 71.94 109.133 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -51.74 -61.81 2.02 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.884 1.674 . . . . 81.9 108.301 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.43 -54.99 6.6 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.843 1.657 . . . . 70.15 111.372 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.503 2.219 0 CA-C-O 125.34 2.495 . . . . 75.69 110.66 -176.098 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GOL . . . . . 0.419 ' O2 ' ' NE2' ' B' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.448 ' O ' ' CG ' ' B' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.465 . . . . . . . . 33.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 55.69 -139.69 42.14 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 126.286 2.241 . . . . 30.17 114.681 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -73.49 -29.12 62.3 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.505 1.122 . . . . 29.05 109.077 -174.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.0 mt -65.61 -37.51 86.82 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 119.15 -0.452 . . . . 30.05 109.931 -175.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.38 -46.42 90.02 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 118.414 0.552 . . . . 41.17 109.917 173.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.66 92.86 Favored 'General case' 0 C--O 1.258 1.539 0 CA-C-N 118.969 0.804 . . . . 24.41 109.364 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.15 -47.41 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 108.578 -0.897 . . . . 23.2 108.578 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.02 -40.49 70.23 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.113 -0.992 . . . . 22.57 110.417 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.41 -39.28 91.98 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.722 -0.791 . . . . 35.91 109.58 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.32 -44.31 95.57 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-N 118.223 0.465 . . . . 24.05 110.101 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.99 -42.87 99.26 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.449 -0.782 . . . . 21.16 110.824 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -65.82 -36.23 82.9 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 116.988 -1.482 . . . . 45.58 109.881 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.65 93.38 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.036 0.835 . . . . 24.07 110.633 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.23 -41.67 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-O 117.409 -1.281 . . . . 21.77 108.089 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.19 87.49 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 107.416 -1.327 . . . . 23.85 107.416 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -63.14 -43.13 99.23 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 117.612 -1.185 . . . . 49.71 109.45 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -59.19 -40.82 86.94 Favored 'General case' 0 C--O 1.27 2.148 0 CA-C-O 117.899 -1.048 . . . . 31.32 111.105 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.55 -38.74 81.04 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 106.275 -1.75 . . . . 26.21 106.275 -172.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -68.41 -36.83 79.67 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 124.576 1.172 . . . . 46.17 110.279 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.02 97.6 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 117.07 -1.443 . . . . 38.23 109.232 174.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.61 -43.36 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 CA-C-N 120.076 1.307 . . . . 36.93 109.362 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.72 72.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 117.413 -1.279 . . . . 39.88 108.131 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -82.59 -2.87 55.02 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 117.789 -1.101 . . . . 51.79 112.886 -166.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.36 -84.08 0.46 Allowed 'General case' 0 C--O 1.26 1.607 0 CA-C-O 116.501 -1.714 . . . . 88.49 109.512 165.081 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mptt . . . . . 0 N--CA 1.491 1.621 0 O-C-N 125.944 2.027 . . . . 95.88 109.213 -170.92 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.191 -1.996 . . . . . . . . 42.31 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -34.01 -61.26 0.52 Allowed Glycine 1 N--CA 1.529 4.864 0 C-N-CA 128.183 2.801 . . . . 45.63 113.246 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -61.8 -47.76 83.68 Favored 'General case' 0 C--O 1.267 2.016 0 CA-C-N 120.385 2.093 . . . . 40.99 109.969 -176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.43 -39.31 92.91 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 109.007 -0.738 . . . . 30.39 109.007 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -63.72 -43.28 97.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.122 -0.631 . . . . 44.29 109.666 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.72 95.36 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 121.343 -0.848 . . . . 24.0 111.971 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.41 -36.93 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 C-N-CA 118.832 -1.147 . . . . 25.76 111.054 174.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.86 91.0 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.261 -1.524 . . . . 22.63 109.935 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . 0.825 ' HG2' ' O ' ' B' ' 202' ' ' HOH . 1.5 tm0? -71.59 -26.87 62.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.609 -0.682 . . . . 27.11 109.63 177.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.96 -42.6 84.92 Favored 'General case' 0 C--O 1.18 -2.585 0 CA-C-N 115.653 -0.703 . . . . 23.41 109.543 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.28 -41.08 86.08 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 118.023 -0.989 . . . . 23.7 109.964 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -62.88 -38.87 92.6 Favored 'General case' 0 C--O 1.257 1.453 0 C-N-CA 118.999 -1.081 . . . . 40.44 109.09 176.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.38 95.36 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 121.518 -0.739 . . . . 21.19 109.401 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -66.41 -40.45 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 N-CA-C 107.88 -1.155 . . . . 22.25 107.88 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.98 -44.81 78.9 Favored 'General case' 0 C--O 1.273 2.328 0 O-C-N 121.041 -1.037 . . . . 21.81 110.609 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.885 ' HB3' ' NZ ' ' B' ' 15' ' ' LYS . 43.1 mtpt -68.96 -29.53 67.77 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.523 -0.917 . . . . 35.21 108.523 176.537 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -71.66 -40.47 69.62 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.892 0.877 . . . . 26.19 109.626 -174.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.13 -40.36 94.32 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.011 -1.471 . . . . 25.75 110.067 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -66.26 -34.37 77.86 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 119.157 0.89 . . . . 34.41 110.602 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 23' ' ' GLU . . . -67.89 -41.53 82.59 Favored 'General case' 0 C--O 1.265 1.92 0 N-CA-C 107.51 -1.292 . . . . 28.13 107.51 -179.684 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.14 -50.86 75.03 Favored 'Isoleucine or valine' 0 C--O 1.262 1.741 0 N-CA-C 108.508 -0.923 . . . . 29.18 108.508 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.45 -46.69 69.97 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.293 -1.002 . . . . 33.01 108.293 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -64.15 -50.48 68.04 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-O 117.271 -1.347 . . . . 39.72 111.247 -177.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 19' ' ' ALA . 2.0 mm-40 -52.08 -47.88 64.96 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 126.005 1.722 . . . . 69.53 107.881 178.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -60.08 -52.74 64.08 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 117.881 -1.057 . . . . 71.94 109.133 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -51.74 -61.81 2.02 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.884 1.674 . . . . 81.9 108.301 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.43 -54.99 6.6 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.843 1.657 . . . . 70.15 111.372 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.503 2.219 0 CA-C-O 125.34 2.495 . . . . 75.69 110.66 -176.098 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GOL . . . . . 0.46 ' O1 ' ' HD3' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.825 ' O ' ' HG2' ' B' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . 0.417 ' O ' ' HG2' ' B' ' 23' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.465 . . . . . . . . 33.460000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 55.69 -139.69 42.14 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 126.286 2.241 . . . . 30.170000000000002 114.681 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -73.49 -29.12 62.3 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.505 1.122 . . . . 29.050000000000001 109.077 -174.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.0 mt -65.61 -37.51 86.82 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 119.15 -0.452 . . . . 30.050000000000001 109.931 -175.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.38 -46.42 90.02 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 118.414 0.552 . . . . 41.170000000000002 109.917 173.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.66 92.86 Favored 'General case' 0 C--O 1.258 1.539 0 CA-C-N 118.969 0.804 . . . . 24.41 109.364 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.15 -47.41 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 108.578 -0.897 . . . . 23.199999999999999 108.578 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.02 -40.49 70.23 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.113 -0.992 . . . . 22.57 110.417 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.41 -39.28 91.98 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.722 -0.791 . . . . 35.909999999999997 109.58 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.32 -44.31 95.57 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-N 118.223 0.465 . . . . 24.050000000000001 110.101 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.99 -42.87 99.26 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.449 -0.782 . . . . 21.16 110.824 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -65.82 -36.23 82.9 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 116.988 -1.482 . . . . 45.579999999999998 109.881 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.65 93.38 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.036 0.835 . . . . 24.07 110.633 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.23 -41.67 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-O 117.409 -1.281 . . . . 21.77 108.089 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.19 87.49 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 107.416 -1.327 . . . . 23.850000000000001 107.416 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -63.14 -43.13 99.23 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 117.612 -1.185 . . . . 49.710000000000001 109.45 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -59.19 -40.82 86.94 Favored 'General case' 0 C--O 1.27 2.148 0 CA-C-O 117.899 -1.048 . . . . 31.32 111.105 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.55 -38.74 81.04 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 106.275 -1.75 . . . . 26.210000000000001 106.275 -172.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -68.41 -36.83 79.67 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 124.576 1.172 . . . . 46.170000000000002 110.279 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.02 97.6 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 117.07 -1.443 . . . . 38.229999999999997 109.232 174.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.61 -43.36 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 CA-C-N 120.076 1.307 . . . . 36.93 109.362 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.72 72.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 117.413 -1.279 . . . . 39.880000000000003 108.131 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -82.59 -2.87 55.02 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 117.789 -1.101 . . . . 51.789999999999999 112.886 -166.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.36 -84.08 0.46 Allowed 'General case' 0 C--O 1.26 1.607 0 CA-C-O 116.501 -1.714 . . . . 88.489999999999995 109.512 165.081 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mptt . . . . . 0 N--CA 1.491 1.621 0 O-C-N 125.944 2.027 . . . . 95.879999999999995 109.213 -170.92 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.191 -1.996 . . . . . . . . 42.310000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -34.01 -61.26 0.52 Allowed Glycine 1 N--CA 1.529 4.864 0 C-N-CA 128.183 2.801 . . . . 45.630000000000003 113.246 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -61.8 -47.76 83.68 Favored 'General case' 0 C--O 1.267 2.016 0 CA-C-N 120.385 2.093 . . . . 40.990000000000002 109.969 -176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.43 -39.31 92.91 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 109.007 -0.738 . . . . 30.390000000000001 109.007 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -63.72 -43.28 97.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.122 -0.631 . . . . 44.289999999999999 109.666 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.72 95.36 Favored 'General case' 0 C--O 1.242 0.681 0 O-C-N 121.343 -0.848 . . . . 24.0 111.971 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.41 -36.93 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 C-N-CA 118.832 -1.147 . . . . 25.760000000000002 111.054 174.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.86 91.0 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.261 -1.524 . . . . 22.629999999999999 109.935 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.825 ' HG2' ' O ' ' B' ' 202' ' ' HOH . 12.6 tm0? -71.59 -26.87 62.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.609 -0.682 . . . . 27.109999999999999 109.63 177.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.96 -42.6 84.92 Favored 'General case' 0 C--O 1.18 -2.585 0 CA-C-N 115.653 -0.703 . . . . 23.41 109.543 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.28 -41.08 86.08 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 118.023 -0.989 . . . . 23.699999999999999 109.964 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -62.88 -38.87 92.6 Favored 'General case' 0 C--O 1.257 1.453 0 C-N-CA 118.999 -1.081 . . . . 40.439999999999998 109.09 176.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.38 95.36 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 121.518 -0.739 . . . . 21.190000000000001 109.401 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -66.41 -40.45 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 N-CA-C 107.88 -1.155 . . . . 22.25 107.88 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.98 -44.81 78.9 Favored 'General case' 0 C--O 1.273 2.328 0 O-C-N 121.041 -1.037 . . . . 21.809999999999999 110.609 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.885 ' HB3' ' NZ ' ' B' ' 15' ' ' LYS . 43.1 mtpt -68.96 -29.53 67.77 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.523 -0.917 . . . . 35.210000000000001 108.523 176.537 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -71.66 -40.47 69.62 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.892 0.877 . . . . 26.190000000000001 109.626 -174.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.13 -40.36 94.32 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.011 -1.471 . . . . 25.75 110.067 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -66.26 -34.37 77.86 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 119.157 0.89 . . . . 34.409999999999997 110.602 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 23' ' ' GLU . . . -67.89 -41.53 82.59 Favored 'General case' 0 C--O 1.265 1.92 0 N-CA-C 107.51 -1.292 . . . . 28.129999999999999 107.51 -179.684 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.14 -50.86 75.03 Favored 'Isoleucine or valine' 0 C--O 1.262 1.741 0 N-CA-C 108.508 -0.923 . . . . 29.18 108.508 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.45 -46.69 69.97 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.293 -1.002 . . . . 33.009999999999998 108.293 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -64.15 -50.48 68.04 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-O 117.271 -1.347 . . . . 39.719999999999999 111.247 -177.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 19' ' ' ALA . 2.0 mm-40 -52.08 -47.88 64.96 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 126.005 1.722 . . . . 69.530000000000001 107.881 178.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -60.08 -52.74 64.08 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 117.881 -1.057 . . . . 71.939999999999998 109.133 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -51.74 -61.81 2.02 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.884 1.674 . . . . 81.900000000000006 108.301 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.43 -54.99 6.6 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.843 1.657 . . . . 70.150000000000006 111.372 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.503 2.219 0 CA-C-O 125.34 2.495 . . . . 75.689999999999998 110.66 -176.098 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GOL . . . . . 0.46 ' O1 ' ' HD3' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.825 ' O ' ' HG2' ' B' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . 0.417 ' O ' ' HG2' ' B' ' 23' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_