data_4rbx_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4rbx _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.844 0.354 . . . . 15.34 110.163 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.6 m -114.37 128.95 56.6 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.719 -1.215 . . . . 11.23 107.719 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 m -131.31 157.76 42.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.147 1.166 . . . . 10.71 114.147 -166.139 -52.799 -99.076 106.649 106.48 2.085 105.734 -85.829 -59.086 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -132.19 139.84 48.5 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 113.795 -1.548 . . . . 14.51 109.836 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.4 m -88.8 111.93 22.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.67 -1.604 . . . . 12.44 106.67 165.847 -66.819 -66.414 -82.343 105.796 2.049 103.192 -153.395 -55.609 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -101.78 150.25 23.34 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 112.798 0.666 . . . . 18.22 112.798 -170.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p -78.02 -27.06 48.79 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 115.499 -0.773 . . . . 28.82 111.316 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.32 -139.05 5.24 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.662 -0.975 . . . . 14.63 110.662 -179.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -81.3 162.93 23.27 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.336 -0.508 . . . . 21.36 111.161 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m -67.52 152.73 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.669 -0.644 . . . . 12.41 109.759 174.436 -64.287 -45.926 -79.744 103.758 2.055 103.419 -84.602 -54.839 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -64.41 157.24 26.94 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 121.715 -0.615 . . . . 21.35 110.664 169.009 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.7 p -61.9 -30.7 71.06 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.695 -0.628 . . . . 41.15 111.998 -176.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -84.48 29.02 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.878 -1.139 . . . . 27.02 112.958 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . 0.463 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 48.8 mt-10 -141.13 171.38 14.14 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.898 1.073 . . . . 20.8 113.898 170.904 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.9 m -134.25 133.86 41.32 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.399 -1.334 . . . . 36.23 107.399 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.65 138.08 53.04 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.41 -0.814 . . . . 15.37 109.27 172.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . 0.525 ' OG ' ' SG ' ' A' ' 31' ' ' CYS . 73.4 m -145.31 13.38 1.4 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.755 1.391 . . . . 10.27 114.755 -173.469 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.07 -166.49 37.62 Favored Glycine 0 C--O 1.242 0.613 0 N-CA-C 108.653 -1.779 . . . . 10.15 108.653 -172.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -124.61 147.46 29.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 109.028 -0.73 . . . . 9.52 109.028 170.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.2 m -97.09 148.02 23.46 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.27 -1.011 . . . . 11.35 108.27 165.379 -55.609 -153.395 -82.343 103.192 2.049 105.796 -66.414 -66.819 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -121.77 125.8 47.38 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 106.373 -1.714 . . . . 23.13 106.373 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.4 mt -133.96 116.99 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 107.356 -1.35 . . . . 32.43 107.356 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 t 47.63 46.46 17.94 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.629 0.728 . . . . 20.54 112.347 -177.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.55 9.03 77.64 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 115.696 1.038 . . . . 17.96 115.696 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -111.67 147.02 36.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.986 0.893 . . . . 25.33 109.932 175.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.7 mt -97.15 140.03 32.26 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 112.735 0.643 . . . . 16.87 112.735 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -131.62 152.83 50.51 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 107.476 -1.305 . . . . 24.68 107.476 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -66.24 136.47 55.92 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.487 -0.758 . . . . 8.89 112.304 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -98.0 118.18 34.01 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 107.41 -1.329 . . . . 13.9 107.41 165.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.5 m -118.77 126.88 52.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.997 -0.372 . . . . 10.09 109.997 -173.518 -54.839 -84.602 -79.744 103.419 2.055 103.758 -45.926 -64.287 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . 0.525 ' SG ' ' OG ' ' A' ' 17' ' ' SER . 79.8 m -128.89 155.64 44.95 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 122.335 1.064 . . . . 11.76 112.202 -169.979 -59.086 -85.829 106.649 105.734 2.085 106.48 -99.076 -52.799 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 . . . . . 0 CA--C 1.503 -0.854 0 CA-C-N 114.188 -1.369 . . . . 19.86 110.215 175.195 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' SO4 . . . . . 0.51 ' O4 ' ' O ' ' A' ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' 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 . . . . . 0.51 ' O ' ' O4 ' ' A' ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.844 0.354 . . . . 12.779999999999999 110.163 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.6 m -114.37 128.95 56.6 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.719 -1.215 . . . . 9.3599999999999994 107.719 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 m -131.31 157.76 42.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.147 1.166 . . . . 10.24 114.147 -166.139 -52.799 -99.076 106.649 106.48 2.085 105.734 -85.829 -59.086 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -132.19 139.84 48.5 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 113.795 -1.548 . . . . 12.09 109.836 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.4 m -88.8 111.93 22.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.67 -1.604 . . . . 11.66 106.67 165.847 -66.819 -66.414 -82.343 105.796 2.049 103.192 -153.395 -55.609 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -101.78 150.25 23.34 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 112.798 0.666 . . . . 15.18 112.798 -170.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p -78.02 -27.06 48.79 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 115.499 -0.773 . . . . 24.02 111.316 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.32 -139.05 5.24 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.662 -0.975 . . . . 12.19 110.662 -179.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -81.3 162.93 23.27 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.336 -0.508 . . . . 17.800000000000001 111.161 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m -67.52 152.73 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.669 -0.644 . . . . 11.779999999999999 109.759 174.436 -64.287 -45.926 -79.744 103.758 2.055 103.419 -84.602 -54.839 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . 0.445 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -64.41 157.24 26.94 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 121.715 -0.615 . . . . 17.789999999999999 110.664 169.009 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.7 p -61.9 -30.7 71.06 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.695 -0.628 . . . . 34.289999999999999 111.998 -176.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -84.48 29.02 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.878 -1.139 . . . . 28.699999999999999 112.958 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 48.8 mt-10 -141.13 171.38 14.14 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.898 1.073 . . . . 17.329999999999998 113.898 170.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.9 m -134.25 133.86 41.32 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.399 -1.334 . . . . 30.190000000000001 107.399 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.65 138.08 53.04 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.41 -0.814 . . . . 12.81 109.27 172.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . 0.513 ' OG ' ' SG ' ' A' ' 31' ' ' CYS . 73.4 m -145.31 13.38 1.4 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.755 1.391 . . . . 17.949999999999999 114.755 -173.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.07 -166.49 37.62 Favored Glycine 0 C--O 1.242 0.613 0 N-CA-C 108.653 -1.779 . . . . 8.4600000000000009 108.653 -172.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -124.61 147.46 29.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 109.028 -0.73 . . . . 8.0399999999999991 109.028 170.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.2 m -97.09 148.02 23.46 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.27 -1.011 . . . . 11.35 108.27 165.379 -55.609 -153.395 -82.343 103.192 2.049 105.796 -66.414 -66.819 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -121.77 125.8 47.38 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 106.373 -1.714 . . . . 19.280000000000001 106.373 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.4 mt -133.96 116.99 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 107.356 -1.35 . . . . 27.02 107.356 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 t 47.63 46.46 17.94 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.629 0.728 . . . . 22.5 112.347 -177.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.55 9.03 77.64 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 115.696 1.038 . . . . 17.960000000000001 115.696 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -111.67 147.02 36.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.986 0.893 . . . . 21.109999999999999 109.932 175.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.7 mt -97.15 140.03 32.26 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 112.735 0.643 . . . . 14.06 112.735 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -131.62 152.83 50.51 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 107.476 -1.305 . . . . 20.559999999999999 107.476 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -66.24 136.47 55.92 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.487 -0.758 . . . . 7.5899999999999999 112.304 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -98.0 118.18 34.01 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 107.41 -1.329 . . . . 11.58 107.41 165.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.5 m -118.77 126.88 52.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.997 -0.372 . . . . 9.4700000000000006 109.997 -173.518 -54.839 -84.602 -79.744 103.419 2.055 103.758 -45.926 -64.287 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . 0.513 ' SG ' ' OG ' ' A' ' 17' ' ' SER . 79.8 m -128.89 155.64 44.95 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 122.335 1.064 . . . . 10.199999999999999 112.202 -169.979 -59.086 -85.829 106.649 105.734 2.085 106.48 -99.076 -52.799 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 . . . . . 0 CA--C 1.503 -0.854 0 CA-C-N 114.188 -1.369 . . . . 16.550000000000001 110.215 175.195 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' SO4 . . . . . 0.51 ' O4 ' ' O ' ' A' ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' 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 . . . . . 0.51 ' O ' ' O4 ' ' A' ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.844 0.354 . . . . 12.779999999999999 110.163 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.6 m -114.37 128.95 56.6 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.719 -1.215 . . . . 9.3599999999999994 107.719 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 m -131.31 157.76 42.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.147 1.166 . . . . 10.24 114.147 -166.139 -52.799 -99.076 106.649 106.48 2.085 105.734 -85.829 -59.086 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -132.19 139.84 48.5 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 113.795 -1.548 . . . . 12.09 109.836 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.4 m -88.8 111.93 22.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.67 -1.604 . . . . 11.66 106.67 165.847 -66.819 -66.414 -82.343 105.796 2.049 103.192 -153.395 -55.609 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -101.78 150.25 23.34 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 112.798 0.666 . . . . 15.18 112.798 -170.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p -78.02 -27.06 48.79 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 115.499 -0.773 . . . . 24.02 111.316 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.32 -139.05 5.24 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.662 -0.975 . . . . 12.19 110.662 -179.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -81.3 162.93 23.27 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.336 -0.508 . . . . 17.800000000000001 111.161 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m -67.52 152.73 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.669 -0.644 . . . . 11.779999999999999 109.759 174.436 -64.287 -45.926 -79.744 103.758 2.055 103.419 -84.602 -54.839 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.445 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -64.41 157.24 26.94 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 121.715 -0.615 . . . . 17.789999999999999 110.664 169.009 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.7 p -61.9 -30.7 71.06 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.695 -0.628 . . . . 34.289999999999999 111.998 -176.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -84.48 29.02 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.878 -1.139 . . . . 28.699999999999999 112.958 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 48.8 mt-10 -141.13 171.38 14.14 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.898 1.073 . . . . 17.329999999999998 113.898 170.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.9 m -134.25 133.86 41.32 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.399 -1.334 . . . . 30.190000000000001 107.399 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.6 tp -56.65 138.08 53.04 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.41 -0.814 . . . . 12.81 109.27 172.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . 0.513 ' OG ' ' SG ' ' A' ' 31' ' ' CYS . 73.4 m -145.31 13.38 1.4 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.755 1.391 . . . . 17.949999999999999 114.755 -173.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.07 -166.49 37.62 Favored Glycine 0 C--O 1.242 0.613 0 N-CA-C 108.653 -1.779 . . . . 8.4600000000000009 108.653 -172.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.7 m -124.61 147.46 29.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 109.028 -0.73 . . . . 8.0399999999999991 109.028 170.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.2 m -97.09 148.02 23.46 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.27 -1.011 . . . . 11.35 108.27 165.379 -55.609 -153.395 -82.343 103.192 2.049 105.796 -66.414 -66.819 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -121.77 125.8 47.38 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 106.373 -1.714 . . . . 19.280000000000001 106.373 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.4 mt -133.96 116.99 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 107.356 -1.35 . . . . 27.02 107.356 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 t 47.63 46.46 17.94 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.629 0.728 . . . . 22.5 112.347 -177.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.55 9.03 77.64 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 115.696 1.038 . . . . 17.960000000000001 115.696 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -111.67 147.02 36.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.986 0.893 . . . . 21.109999999999999 109.932 175.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.7 mt -97.15 140.03 32.26 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 112.735 0.643 . . . . 14.06 112.735 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -131.62 152.83 50.51 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 107.476 -1.305 . . . . 20.559999999999999 107.476 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -66.24 136.47 55.92 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.487 -0.758 . . . . 7.5899999999999999 112.304 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -98.0 118.18 34.01 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 107.41 -1.329 . . . . 11.58 107.41 165.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.5 m -118.77 126.88 52.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.997 -0.372 . . . . 9.4700000000000006 109.997 -173.518 -54.839 -84.602 -79.744 103.419 2.055 103.758 -45.926 -64.287 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.513 ' SG ' ' OG ' ' A' ' 17' ' ' SER . 79.8 m -128.89 155.64 44.95 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 122.335 1.064 . . . . 10.199999999999999 112.202 -169.979 -59.086 -85.829 106.649 105.734 2.085 106.48 -99.076 -52.799 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 . . . . . 0 CA--C 1.503 -0.854 0 CA-C-N 114.188 -1.369 . . . . 16.550000000000001 110.215 175.195 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' SO4 . . . . . 0.51 ' O4 ' ' O ' ' A' ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' 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 . . . . . 0.51 ' O ' ' O4 ' ' A' ' 103' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_