data_6pho_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 6pho _Structure_validation_residue.Date_analyzed 2020-06-26 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 ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 120.969 0.205 . . . . 43.56 113.121 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.5 p -112.93 17.09 19.19 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.534 0.568 . . . . 35.75 112.534 -174.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -59.77 -53.88 52.74 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.649 -0.42 . . . . 28.32 111.6 -171.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 m -64.65 -40.02 94.72 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.503 -0.879 . . . . 41.35 111.331 -175.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -68.94 -40.34 79.01 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.606 -0.838 . . . . 45.08 111.539 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -68.6 -36.49 78.75 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.824 -0.75 . . . . 32.97 110.987 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.61 -41.25 94.44 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.944 -0.703 . . . . 25.21 110.905 175.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -58.86 -41.28 86.64 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.798 -0.361 . . . . 34.81 111.64 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -66.91 -38.49 86.31 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.735 -0.786 . . . . 38.34 110.854 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 29.3 t80 -58.6 -45.48 89.05 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.856 -0.337 . . . . 38.68 110.812 173.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 mt -58.79 -40.66 84.68 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.956 -0.698 . . . . 23.86 111.213 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.57 -35.62 81.37 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.195 -1.002 . . . . 27.26 110.597 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 t -67.68 -37.4 82.3 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.884 -0.326 . . . . 21.06 110.749 177.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . 0.537 ' HD2' ' CZ ' ' A' ' 13' ' ' TYR . 78.1 mtp85 -62.71 -41.07 98.96 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.426 -0.509 . . . . 40.75 110.442 177.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -65.66 -43.7 88.59 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.758 0.313 . . . . 37.23 110.491 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.32 96.56 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.914 -0.714 . . . . 16.45 111.122 177.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -68.24 -31.72 71.41 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.512 -0.475 . . . . 30.56 110.903 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . 0.541 ' OD1' ' O ' ' A' ' 101' ' ' HOH . 99.7 m-20 -70.92 -35.01 72.07 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.159 -0.616 . . . . 20.18 110.456 174.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -63.95 -42.56 97.28 Favored 'General case' 0 C--O 1.232 0.17 0 O-C-N 122.333 -0.229 . . . . 16.61 111.347 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 t -56.93 -43.62 80.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 121.052 0.453 . . . . 20.29 110.636 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -63.25 -45.18 92.73 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.787 -0.765 . . . . 38.81 110.554 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -59.41 -42.25 91.35 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.186 -0.321 . . . . 26.16 111.168 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.33 -30.28 70.41 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.382 -0.527 . . . . 20.09 111.212 -177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MSE . . . . . . . . . . . . . 4.7 mtm -88.08 -5.82 58.26 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 112.882 0.697 . . . . 67.49 112.882 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 61.47 39.77 14.6 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.508 0.67 . . . . 47.35 110.743 -172.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.231 0.09 0 CA-C-N 115.664 -0.698 . . . . 48.87 110.851 175.025 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.541 ' O ' ' OD1' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 120.969 0.205 . . . . 38.14 113.121 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.5 p -112.93 17.09 19.19 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.534 0.568 . . . . 29.79 112.534 -174.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -59.77 -53.88 52.74 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.649 -0.42 . . . . 23.6 111.6 -171.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 m -64.65 -40.02 94.72 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.503 -0.879 . . . . 34.46 111.331 -175.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -68.94 -40.34 79.01 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.606 -0.838 . . . . 37.56 111.539 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -68.6 -36.49 78.75 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.824 -0.75 . . . . 32.97 110.987 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.61 -41.25 94.44 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.944 -0.703 . . . . 21.01 110.905 175.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -58.86 -41.28 86.64 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.798 -0.361 . . . . 29.01 111.64 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -66.91 -38.49 86.31 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.735 -0.786 . . . . 31.95 110.854 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 29.3 t80 -58.6 -45.48 89.05 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.856 -0.337 . . . . 32.24 110.812 173.762 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 mt -58.79 -40.66 84.68 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.956 -0.698 . . . . 19.88 111.213 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.57 -35.62 81.37 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.195 -1.002 . . . . 27.26 110.597 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 t -67.68 -37.4 82.3 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.884 -0.326 . . . . 17.55 110.749 177.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HD2' ' CZ ' ' A' ' 13' ' ' TYR . 78.1 mtp85 -62.71 -41.07 98.96 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.426 -0.509 . . . . 33.96 110.442 177.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -65.66 -43.7 88.59 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.758 0.313 . . . . 31.03 110.491 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.32 96.56 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.914 -0.714 . . . . 13.71 111.122 177.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -68.24 -31.72 71.41 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.512 -0.475 . . . . 25.47 110.903 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . 0.541 ' OD1' ' O ' ' A' ' 101' ' ' HOH . 99.7 m-20 -70.92 -35.01 72.07 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.159 -0.616 . . . . 20.18 110.456 174.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -63.95 -42.56 97.28 Favored 'General case' 0 C--O 1.232 0.17 0 O-C-N 122.333 -0.229 . . . . 13.84 111.347 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 t -56.93 -43.62 80.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 121.052 0.453 . . . . 16.91 110.636 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -63.25 -45.18 92.73 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.787 -0.765 . . . . 32.35 110.554 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -59.41 -42.25 91.35 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.186 -0.321 . . . . 21.8 111.168 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.33 -30.28 70.41 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.382 -0.527 . . . . 19.19 111.212 -177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MSE . . . . . . . . . . . . . 4.7 mtm -88.08 -5.82 58.26 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 112.882 0.697 . . . . 56.24 112.882 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 61.47 39.77 14.6 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.508 0.67 . . . . 39.46 110.743 -172.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.231 0.09 0 CA-C-N 115.664 -0.698 . . . . 40.78 110.851 175.025 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.541 ' O ' ' OD1' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 120.969 0.205 . . . . 38.14 113.121 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.5 p -112.93 17.09 19.19 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.534 0.568 . . . . 29.79 112.534 -174.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -59.77 -53.88 52.74 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.649 -0.42 . . . . 23.6 111.6 -171.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 m -64.65 -40.02 94.72 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.503 -0.879 . . . . 34.46 111.331 -175.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -68.94 -40.34 79.01 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.606 -0.838 . . . . 37.56 111.539 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -68.6 -36.49 78.75 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.824 -0.75 . . . . 32.97 110.987 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.61 -41.25 94.44 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.944 -0.703 . . . . 21.01 110.905 175.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -58.86 -41.28 86.64 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.798 -0.361 . . . . 29.01 111.64 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -66.91 -38.49 86.31 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.735 -0.786 . . . . 31.95 110.854 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.54 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 29.3 t80 -58.6 -45.48 89.05 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.856 -0.337 . . . . 32.24 110.812 173.762 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 mt -58.79 -40.66 84.68 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.956 -0.698 . . . . 19.88 111.213 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.57 -35.62 81.37 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.195 -1.002 . . . . 27.26 110.597 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 t -67.68 -37.4 82.3 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.884 -0.326 . . . . 17.55 110.749 177.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HD2' ' CZ ' ' A' ' 13' ' ' TYR . 78.1 mtp85 -62.71 -41.07 98.96 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.426 -0.509 . . . . 33.96 110.442 177.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -65.66 -43.7 88.59 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.758 0.313 . . . . 31.03 110.491 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.32 96.56 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.914 -0.714 . . . . 13.71 111.122 177.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -68.24 -31.72 71.41 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.512 -0.475 . . . . 25.47 110.903 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.541 ' OD1' ' O ' ' A' ' 101' ' ' HOH . 99.7 m-20 -70.92 -35.01 72.07 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.159 -0.616 . . . . 20.18 110.456 174.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -63.95 -42.56 97.28 Favored 'General case' 0 C--O 1.232 0.17 0 O-C-N 122.333 -0.229 . . . . 13.84 111.347 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.5 t -56.93 -43.62 80.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 121.052 0.453 . . . . 16.91 110.636 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -63.25 -45.18 92.73 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.787 -0.765 . . . . 32.35 110.554 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -59.41 -42.25 91.35 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.186 -0.321 . . . . 21.8 111.168 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.33 -30.28 70.41 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.382 -0.527 . . . . 19.19 111.212 -177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MSE . . . . . . . . . . . . . 4.7 mtm -88.08 -5.82 58.26 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 112.882 0.697 . . . . 56.24 112.882 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 61.47 39.77 14.6 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.508 0.67 . . . . 39.46 110.743 -172.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.231 0.09 0 CA-C-N 115.664 -0.698 . . . . 40.78 110.851 175.025 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.541 ' O ' ' OD1' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_