data_6q22_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 6q22 _Structure_validation_residue.Date_analyzed 2020-04-24 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 1.238 0.483 . . . . . . . . 42.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.62 -41.18 76.02 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 119.042 -1.063 . . . . 40.85 108.785 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.19 -39.1 84.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 C-N-CA 120.256 -0.578 . . . . 30.57 110.578 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -61.64 -41.16 97.12 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.024 -0.422 . . . . 44.39 111.079 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.78 70.74 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.375 -0.53 . . . . 21.58 111.096 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.05 -37.86 86.54 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.543 -0.463 . . . . 27.94 111.16 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.8 -45.02 94.58 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.499 -0.48 . . . . 34.31 110.511 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' NZ ' ' OH6' ' A' ' 101' ' ' 1PE . 60.4 mtpt -61.27 -39.63 91.09 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 120.867 -0.333 . . . . 27.49 111.104 176.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -65.25 -40.98 94.72 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.993 -0.283 . . . . 33.89 111.117 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.03 -41.09 86.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 120.499 -0.48 . . . . 16.86 110.275 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -63.98 -40.2 95.85 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.029 -0.669 . . . . 31.44 111.149 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.66 88.24 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.765 -0.774 . . . . 17.61 110.51 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.79 -38.08 89.79 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.029 -0.668 . . . . 17.07 111.152 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -63.25 -42.27 99.16 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.191 -0.604 . . . . 26.26 109.486 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.76 -40.0 91.62 Favored 'General case' 0 C--O 1.248 0.977 0 C-N-CA 119.853 -0.739 . . . . 19.07 111.38 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.3 t -68.58 -41.06 82.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.826 -0.625 . . . . 13.7 110.505 -178.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -57.89 -43.96 86.4 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.543 -0.863 . . . . 22.39 111.284 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . 0.645 ' NZ ' ' OE2' ' B' ' 6' ' ' GLU . 8.2 ttmt -61.4 -43.61 98.57 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 112.034 0.383 . . . . 38.83 112.034 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.32 -41.07 98.88 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.729 -0.388 . . . . 14.3 111.377 178.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.89 -41.74 92.26 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 119.99 -0.684 . . . . 15.43 110.8 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.98 -43.67 91.86 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.178 -0.609 . . . . 21.12 111.418 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -67.65 -38.7 84.19 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.345 -0.542 . . . . 27.84 111.696 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.0 t -72.76 -39.34 59.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.328 -0.549 . . . . 11.13 110.823 -177.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.61 -38.47 84.82 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.915 -1.114 . . . . 25.6 110.331 174.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.74 97.49 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.155 -0.618 . . . . 11.8 110.978 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.79 -44.39 90.12 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 120.2 -0.6 . . . . 15.18 111.386 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . 0.663 ' OE1' ' O ' ' A' ' 202' ' ' HOH . 5.2 mm-40 -63.47 -37.75 88.51 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.372 -0.531 . . . . 26.72 111.288 -178.285 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -87.45 -9.71 53.88 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 112.873 0.694 . . . . 19.99 112.873 -177.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.77 35.16 90.84 Favored Glycine 0 C--O 1.241 0.564 0 CA-C-O 119.8 -0.445 . . . . 17.62 113.626 -172.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.9 m0 -64.97 142.19 58.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 117.767 0.784 . . . . 20.08 110.912 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . 0.718 ' OD2' ' O ' ' A' ' 201' ' ' HOH . 7.7 m-20 59.74 37.69 22.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.445 -0.798 . . . . 33.48 111.831 171.832 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.55 11.4 80.08 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 115.661 1.024 . . . . 31.28 115.661 174.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 118.452 1.126 . . . . 35.4 111.7 177.745 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 40.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -74.25 -37.52 63.74 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 116.232 -2.187 . . . . 47.11 111.897 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.51 -37.63 75.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 119.471 -0.891 . . . . 29.86 110.556 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -66.46 -38.34 87.13 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.194 -0.602 . . . . 38.79 111.226 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.15 84.29 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 120.518 -0.473 . . . . 21.2 111.199 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.87 -40.89 98.89 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 120.715 0.293 . . . . 27.41 111.443 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . 0.645 ' OE2' ' NZ ' ' A' ' 18' ' ' LYS . 35.6 tt0 -61.23 -42.16 98.13 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.371 -0.532 . . . . 37.4 110.799 178.926 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . 0.479 ' NZ ' ' OH5' ' B' ' 101' ' ' 1PE . 53.6 mtpt -63.96 -40.14 95.73 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.681 -0.407 . . . . 30.76 111.164 178.829 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -67.33 -40.57 85.91 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.664 -0.414 . . . . 33.24 111.277 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 t -63.79 -41.54 92.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 CA-C-O 121.289 0.566 . . . . 16.28 110.295 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -65.32 -41.33 94.11 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 119.957 -0.697 . . . . 31.81 111.489 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.15 93.91 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.913 -0.715 . . . . 15.3 110.922 174.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.53 -38.49 90.18 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.055 -0.658 . . . . 17.16 111.283 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -62.25 -42.45 99.33 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 109.825 -0.435 . . . . 24.79 109.825 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -67.26 -40.32 86.19 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 120.197 -0.601 . . . . 20.69 111.222 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.13 -41.01 81.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.322 -0.854 . . . . 11.33 110.594 -177.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -58.49 -46.08 87.41 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.572 -0.851 . . . . 27.74 111.225 175.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -56.65 -46.14 81.23 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.042 0.386 . . . . 29.4 112.042 175.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.57 -42.29 99.46 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.6 -0.44 . . . . 12.22 111.741 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.69 -41.37 86.08 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.99 -0.684 . . . . 15.13 111.172 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -65.16 -44.61 87.97 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.798 -0.761 . . . . 21.38 111.363 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -66.87 -38.34 86.14 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.291 -0.564 . . . . 27.12 111.798 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.84 -40.05 59.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.805 -0.358 . . . . 12.77 110.626 -177.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.37 -38.72 84.77 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 118.801 -1.159 . . . . 27.04 110.696 173.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.46 98.73 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.047 -0.661 . . . . 12.68 111.099 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.92 -45.8 87.61 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 119.59 -0.844 . . . . 16.64 111.118 176.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . 0.471 ' OE2' ' O ' ' B' ' 202' ' ' HOH . 3.3 mt-10 -64.66 -34.91 79.4 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.654 -0.418 . . . . 33.68 111.471 -176.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -89.51 -9.68 49.09 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 112.573 0.582 . . . . 19.74 112.573 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.23 31.9 82.4 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-O 119.639 -0.534 . . . . 18.89 113.802 -173.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 42.8 m0 -61.88 141.95 57.67 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.071 0.935 . . . . 21.16 111.096 -179.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASP . . . . . 0.76 ' OD2' ' O ' ' B' ' 201' ' ' HOH . 26.2 m-20 59.18 35.79 23.69 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.616 -0.72 . . . . 37.03 111.754 171.68 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.49 13.4 80.36 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 115.855 1.102 . . . . 30.87 115.855 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 118.687 1.243 . . . . 39.67 112.069 178.547 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' 1PE . . . . . 0.496 ' OH6' ' NZ ' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' 1PE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' 1PE . . . . . 0.479 ' OH5' ' NZ ' ' B' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.718 ' O ' ' OD2' ' A' ' 31' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.663 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.436 ' O ' ' CE ' ' A' ' 18' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . 0.76 ' O ' ' OD2' ' B' ' 31' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.471 ' O ' ' OE2' ' B' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.483 . . . . . . . . 42.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.62 -41.18 76.02 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 119.042 -1.063 . . . . 40.85 108.785 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.19 -39.1 84.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 C-N-CA 120.256 -0.578 . . . . 30.57 110.578 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -61.64 -41.16 97.12 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.024 -0.422 . . . . 44.39 111.079 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.78 70.74 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.375 -0.53 . . . . 21.58 111.096 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.05 -37.86 86.54 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.543 -0.463 . . . . 27.94 111.16 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.8 -45.02 94.58 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.499 -0.48 . . . . 34.31 110.511 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -61.27 -39.63 91.09 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 120.867 -0.333 . . . . 27.49 111.104 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -65.25 -40.98 94.72 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.993 -0.283 . . . . 33.89 111.117 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.03 -41.09 86.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 120.499 -0.48 . . . . 16.86 110.275 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -63.98 -40.2 95.85 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.029 -0.669 . . . . 31.44 111.149 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.66 88.24 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.765 -0.774 . . . . 17.61 110.51 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.79 -38.08 89.79 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.029 -0.668 . . . . 17.07 111.152 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -63.25 -42.27 99.16 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.191 -0.604 . . . . 26.26 109.486 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.76 -40.0 91.62 Favored 'General case' 0 C--O 1.248 0.977 0 C-N-CA 119.853 -0.739 . . . . 19.07 111.38 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.3 t -68.58 -41.06 82.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.826 -0.625 . . . . 13.7 110.505 -178.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -57.89 -43.96 86.4 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.543 -0.863 . . . . 22.39 111.284 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.652 ' HE3' ' O ' ' A' ' 206' ' ' HOH . 8.2 ttmt -61.4 -43.61 98.57 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 112.034 0.383 . . . . 38.83 112.034 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.32 -41.07 98.88 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.729 -0.388 . . . . 14.3 111.377 178.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.89 -41.74 92.26 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 119.99 -0.684 . . . . 15.43 110.8 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.98 -43.67 91.86 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.178 -0.609 . . . . 21.12 111.418 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -67.65 -38.7 84.19 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.345 -0.542 . . . . 27.84 111.696 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.0 t -72.76 -39.34 59.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.328 -0.549 . . . . 11.13 110.823 -177.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.61 -38.47 84.82 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.915 -1.114 . . . . 25.6 110.331 174.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HA ' ' CE3' ' A' ' 30' ' ' TRP . . . -63.96 -41.74 97.49 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.155 -0.618 . . . . 11.8 110.978 179.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.79 -44.39 90.12 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 120.2 -0.6 . . . . 15.18 111.386 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.663 ' OE1' ' O ' ' A' ' 202' ' ' HOH . 5.2 mm-40 -63.47 -37.75 88.51 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.372 -0.531 . . . . 26.72 111.288 -178.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -87.45 -9.71 53.88 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 112.873 0.694 . . . . 19.99 112.873 -177.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.77 35.16 90.84 Favored Glycine 0 C--O 1.241 0.564 0 CA-C-O 119.8 -0.445 . . . . 17.62 113.626 -172.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . 0.407 ' CE3' ' HA ' ' A' ' 25' ' ' ALA . 42.9 m0 -64.97 142.19 58.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 117.767 0.784 . . . . 20.08 110.912 179.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . 0.718 ' OD2' ' O ' ' A' ' 201' ' ' HOH . 7.7 m-20 59.74 37.69 22.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.445 -0.798 . . . . 33.48 111.831 171.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.55 11.4 80.08 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 115.661 1.024 . . . . 31.28 115.661 174.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 118.452 1.126 . . . . 35.4 111.7 177.745 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 40.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -74.25 -37.52 63.74 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 116.232 -2.187 . . . . 47.11 111.897 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.51 -37.63 75.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 119.471 -0.891 . . . . 29.86 110.556 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -66.46 -38.34 87.13 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.194 -0.602 . . . . 38.79 111.226 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.15 84.29 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 120.518 -0.473 . . . . 21.2 111.199 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.87 -40.89 98.89 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 120.715 0.293 . . . . 27.41 111.443 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.502 ' OE2' ' NZ ' ' A' ' 18' ' ' LYS . 35.6 tt0 -61.23 -42.16 98.13 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.371 -0.532 . . . . 37.4 110.799 178.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -63.96 -40.14 95.73 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.681 -0.407 . . . . 30.76 111.164 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -67.33 -40.57 85.91 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.664 -0.414 . . . . 33.24 111.277 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 t -63.79 -41.54 92.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 CA-C-O 121.289 0.566 . . . . 16.28 110.295 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -65.32 -41.33 94.11 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 119.957 -0.697 . . . . 31.81 111.489 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.15 93.91 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.913 -0.715 . . . . 15.3 110.922 174.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.53 -38.49 90.18 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.055 -0.658 . . . . 17.16 111.283 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -62.25 -42.45 99.33 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 109.825 -0.435 . . . . 24.79 109.825 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -67.26 -40.32 86.19 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 120.197 -0.601 . . . . 20.69 111.222 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.13 -41.01 81.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.322 -0.854 . . . . 11.33 110.594 -177.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -58.49 -46.08 87.41 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.572 -0.851 . . . . 27.74 111.225 175.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . 0.505 ' HZ2' ' HD2' ' B' ' 21' ' ' LYS . 8.4 mmtm -56.65 -46.14 81.23 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.042 0.386 . . . . 29.4 112.042 175.769 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.57 -42.29 99.46 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.6 -0.44 . . . . 12.22 111.741 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.69 -41.37 86.08 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.99 -0.684 . . . . 15.13 111.172 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . 0.505 ' HD2' ' HZ2' ' B' ' 18' ' ' LYS . 94.3 mttt -65.16 -44.61 87.97 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.798 -0.761 . . . . 21.38 111.363 179.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -66.87 -38.34 86.14 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.291 -0.564 . . . . 27.12 111.798 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.84 -40.05 59.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.805 -0.358 . . . . 12.77 110.626 -177.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.37 -38.72 84.77 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 118.801 -1.159 . . . . 27.04 110.696 173.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . 0.401 ' HA ' ' CE3' ' B' ' 30' ' ' TRP . . . -63.41 -41.46 98.73 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.047 -0.661 . . . . 12.68 111.099 178.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.92 -45.8 87.61 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 119.59 -0.844 . . . . 16.64 111.118 176.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . 0.471 ' OE2' ' O ' ' B' ' 202' ' ' HOH . 3.3 mt-10 -64.66 -34.91 79.4 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.654 -0.418 . . . . 33.68 111.471 -176.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -89.51 -9.68 49.09 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 112.573 0.582 . . . . 19.74 112.573 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.23 31.9 82.4 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-O 119.639 -0.534 . . . . 18.89 113.802 -173.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' TRP . . . . . 0.401 ' CE3' ' HA ' ' B' ' 25' ' ' ALA . 42.8 m0 -61.88 141.95 57.67 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.071 0.935 . . . . 21.16 111.096 -179.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASP . . . . . 0.76 ' OD2' ' O ' ' B' ' 201' ' ' HOH . 26.2 m-20 59.18 35.79 23.69 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.616 -0.72 . . . . 37.03 111.754 171.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.49 13.4 80.36 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 115.855 1.102 . . . . 30.87 115.855 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 118.687 1.243 . . . . 39.67 112.069 178.547 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' 1PE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' 1PE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' 1PE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.718 ' O ' ' OD2' ' A' ' 31' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.663 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.652 ' O ' ' HE3' ' A' ' 18' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . 0.76 ' O ' ' OD2' ' B' ' 31' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.471 ' O ' ' OE2' ' B' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.483 . . . . . . . . 42.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.62 -41.18 76.02 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 119.042 -1.063 . . . . 40.85 108.785 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.19 -39.1 84.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 C-N-CA 120.256 -0.578 . . . . 30.57 110.578 -176.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -61.64 -41.16 97.12 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.024 -0.422 . . . . 44.39 111.079 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.78 70.74 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.375 -0.53 . . . . 21.58 111.096 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.05 -37.86 86.54 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.543 -0.463 . . . . 27.94 111.16 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.8 -45.02 94.58 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.499 -0.48 . . . . 34.31 110.511 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -61.27 -39.63 91.09 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 120.867 -0.333 . . . . 27.49 111.104 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -65.25 -40.98 94.72 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.993 -0.283 . . . . 33.89 111.117 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.03 -41.09 86.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 120.499 -0.48 . . . . 16.86 110.275 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -63.98 -40.2 95.85 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.029 -0.669 . . . . 31.44 111.149 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.66 88.24 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.765 -0.774 . . . . 17.61 110.51 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.79 -38.08 89.79 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.029 -0.668 . . . . 17.07 111.152 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -63.25 -42.27 99.16 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.191 -0.604 . . . . 26.26 109.486 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.76 -40.0 91.62 Favored 'General case' 0 C--O 1.248 0.977 0 C-N-CA 119.853 -0.739 . . . . 19.07 111.38 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.3 t -68.58 -41.06 82.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.826 -0.625 . . . . 13.7 110.505 -178.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -57.89 -43.96 86.4 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.543 -0.863 . . . . 22.39 111.284 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.652 ' HE3' ' O ' ' A' ' 206' ' ' HOH . 8.2 ttmt -61.4 -43.61 98.57 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 112.034 0.383 . . . . 38.83 112.034 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.32 -41.07 98.88 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.729 -0.388 . . . . 14.3 111.377 178.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.89 -41.74 92.26 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 119.99 -0.684 . . . . 15.43 110.8 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.98 -43.67 91.86 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.178 -0.609 . . . . 21.12 111.418 179.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -67.65 -38.7 84.19 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.345 -0.542 . . . . 27.84 111.696 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.0 t -72.76 -39.34 59.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.328 -0.549 . . . . 11.13 110.823 -177.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.61 -38.47 84.82 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.915 -1.114 . . . . 25.6 110.331 174.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HA ' ' CE3' ' A' ' 30' ' ' TRP . . . -63.96 -41.74 97.49 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.155 -0.618 . . . . 11.8 110.978 179.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.79 -44.39 90.12 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 120.2 -0.6 . . . . 15.18 111.386 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.663 ' OE1' ' O ' ' A' ' 202' ' ' HOH . 5.2 mm-40 -63.47 -37.75 88.51 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.372 -0.531 . . . . 26.72 111.288 -178.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -87.45 -9.71 53.88 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 112.873 0.694 . . . . 19.99 112.873 -177.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.77 35.16 90.84 Favored Glycine 0 C--O 1.241 0.564 0 CA-C-O 119.8 -0.445 . . . . 17.62 113.626 -172.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.407 ' CE3' ' HA ' ' A' ' 25' ' ' ALA . 42.9 m0 -64.97 142.19 58.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 117.767 0.784 . . . . 20.08 110.912 179.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.718 ' OD2' ' O ' ' A' ' 201' ' ' HOH . 7.7 m-20 59.74 37.69 22.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.445 -0.798 . . . . 33.48 111.831 171.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.55 11.4 80.08 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 115.661 1.024 . . . . 31.28 115.661 174.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 118.452 1.126 . . . . 35.4 111.7 177.745 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 40.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -74.25 -37.52 63.74 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 116.232 -2.187 . . . . 47.11 111.897 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.51 -37.63 75.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 119.471 -0.891 . . . . 29.86 110.556 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -66.46 -38.34 87.13 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.194 -0.602 . . . . 38.79 111.226 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.15 84.29 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 120.518 -0.473 . . . . 21.2 111.199 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.87 -40.89 98.89 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 120.715 0.293 . . . . 27.41 111.443 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.502 ' OE2' ' NZ ' ' A' ' 18' ' ' LYS . 35.6 tt0 -61.23 -42.16 98.13 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.371 -0.532 . . . . 37.4 110.799 178.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -63.96 -40.14 95.73 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.681 -0.407 . . . . 30.76 111.164 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -67.33 -40.57 85.91 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.664 -0.414 . . . . 33.24 111.277 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 t -63.79 -41.54 92.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 CA-C-O 121.289 0.566 . . . . 16.28 110.295 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -65.32 -41.33 94.11 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 119.957 -0.697 . . . . 31.81 111.489 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.15 93.91 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.913 -0.715 . . . . 15.3 110.922 174.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.53 -38.49 90.18 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.055 -0.658 . . . . 17.16 111.283 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -62.25 -42.45 99.33 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 109.825 -0.435 . . . . 24.79 109.825 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -67.26 -40.32 86.19 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 120.197 -0.601 . . . . 20.69 111.222 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.13 -41.01 81.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.322 -0.854 . . . . 11.33 110.594 -177.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -58.49 -46.08 87.41 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.572 -0.851 . . . . 27.74 111.225 175.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.505 ' HZ2' ' HD2' ' B' ' 21' ' ' LYS . 8.4 mmtm -56.65 -46.14 81.23 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.042 0.386 . . . . 29.4 112.042 175.769 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.57 -42.29 99.46 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.6 -0.44 . . . . 12.22 111.741 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.69 -41.37 86.08 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.99 -0.684 . . . . 15.13 111.172 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.505 ' HD2' ' HZ2' ' B' ' 18' ' ' LYS . 94.3 mttt -65.16 -44.61 87.97 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.798 -0.761 . . . . 21.38 111.363 179.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -66.87 -38.34 86.14 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.291 -0.564 . . . . 27.12 111.798 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.84 -40.05 59.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.805 -0.358 . . . . 12.77 110.626 -177.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.37 -38.72 84.77 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 118.801 -1.159 . . . . 27.04 110.696 173.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.401 ' HA ' ' CE3' ' B' ' 30' ' ' TRP . . . -63.41 -41.46 98.73 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.047 -0.661 . . . . 12.68 111.099 178.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.92 -45.8 87.61 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 119.59 -0.844 . . . . 16.64 111.118 176.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.471 ' OE2' ' O ' ' B' ' 202' ' ' HOH . 3.3 mt-10 -64.66 -34.91 79.4 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.654 -0.418 . . . . 33.68 111.471 -176.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -89.51 -9.68 49.09 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 112.573 0.582 . . . . 19.74 112.573 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.23 31.9 82.4 Favored Glycine 0 C--N 1.331 0.296 0 CA-C-O 119.639 -0.534 . . . . 18.89 113.802 -173.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.401 ' CE3' ' HA ' ' B' ' 25' ' ' ALA . 42.8 m0 -61.88 141.95 57.67 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.071 0.935 . . . . 21.16 111.096 -179.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.76 ' OD2' ' O ' ' B' ' 201' ' ' HOH . 26.2 m-20 59.18 35.79 23.69 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.616 -0.72 . . . . 37.03 111.754 171.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.49 13.4 80.36 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 115.855 1.102 . . . . 30.87 115.855 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 118.687 1.243 . . . . 39.67 112.069 178.547 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' 1PE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' 1PE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' 1PE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.718 ' O ' ' OD2' ' A' ' 31' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.663 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.652 ' O ' ' HE3' ' A' ' 18' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . 0.76 ' O ' ' OD2' ' B' ' 31' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.471 ' O ' ' OE2' ' B' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_