data_2ovc_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 2ovc _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 ' 4' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 N--CA 1.508 2.47 0 CA-C-O 120.55 0.214 . . . . 32.36 111.286 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -72.19 -28.72 63.38 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 116.04 1.867 . . . . 37.8 116.04 -172.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.32 -43.28 84.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 124.129 0.972 . . . . 20.46 111.514 174.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.6 m -58.92 -47.81 83.72 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.895 -0.593 . . . . 20.22 109.435 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 ttm -59.22 -49.44 77.83 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 124.528 1.143 . . . . 18.78 112.134 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 tpt -62.87 -39.46 94.53 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.208 0.528 . . . . 21.66 110.385 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.65 -46.85 73.26 Favored Glycine 0 C--O 1.219 -0.828 0 CA-C-O 118.917 -0.935 . . . . 14.06 112.028 174.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 mmm-85 -68.82 -39.71 79.88 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.086 0.943 . . . . 28.27 110.454 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.6 t -60.44 -43.92 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 118.392 0.542 . . . . 11.69 112.045 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.41 -42.2 95.45 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.877 0 C-N-CA 122.796 0.439 . . . . 15.76 111.412 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -59.24 -45.05 92.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.951 0.352 . . . . 27.99 111.951 175.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.7 t -61.65 -44.42 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 116.571 -0.286 . . . . 14.9 110.472 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -56.44 -39.21 72.72 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 114.023 1.119 . . . . 33.59 114.023 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -74.06 -38.24 64.01 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 109.439 -0.578 . . . . 27.05 109.439 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -67.22 -39.23 86.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.15 -1.02 . . . . 26.94 112.55 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.37 -33.63 54.73 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 CA-C-N 115.521 -0.763 . . . . 15.53 112.923 176.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -72.86 -38.13 67.15 Favored 'General case' 0 CA--C 1.487 -1.461 0 CA-C-N 118.632 0.651 . . . . 26.34 109.639 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -39.91 76.02 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.239 -1.346 . . . . 15.51 109.981 -178.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.8 mt -59.8 -44.53 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 123.786 0.835 . . . . 14.87 112.722 171.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -65.12 -40.16 94.1 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 120.03 -0.668 . . . . 30.39 111.445 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HIS . . . . . 0.58 ' NE2' ' O ' ' A' ' 40' ' ' HOH . 21.7 t-160 -63.24 -37.94 89.23 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.63 0.604 . . . . 24.87 112.63 176.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.25 -41.24 94.5 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 112.651 0.611 . . . . 19.96 112.651 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.1 -36.48 84.41 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 113.915 1.08 . . . . 20.72 113.915 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -57.86 -38.16 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.139 -0.319 . . . . 26.28 110.139 171.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.99 -45.27 94.36 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.596 1.332 . . . . 27.02 114.596 170.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.61 -26.2 66.97 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 114.175 1.176 . . . . 27.37 114.175 176.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.11 -24.85 18.14 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 123.27 0.628 . . . . 27.53 110.762 -172.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.73 23.74 45.09 Favored Glycine 0 C--O 1.219 -0.831 0 CA-C-N 115.71 -0.677 . . . . 30.2 111.543 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 4.2 m-30 -85.9 141.36 29.63 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 103.618 -2.734 . . . . 33.11 103.618 167.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 20.3 m-85 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 122.786 1.279 . . . . 39.49 112.013 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . 0.58 ' O ' ' NE2' ' A' ' 24' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 N--CA 1.508 2.47 0 CA-C-O 120.55 0.214 . . . . 32.36 111.286 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -72.19 -28.72 63.38 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 116.04 1.867 . . . . 37.8 116.04 -172.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.32 -43.28 84.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 124.129 0.972 . . . . 20.46 111.514 174.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.6 m -58.92 -47.81 83.72 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.895 -0.593 . . . . 20.22 109.435 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' MET . . . . . 0.688 ' HE2' HG23 ' A' ' 12' ' ' VAL . 15.6 ttm -59.22 -49.44 77.83 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 124.528 1.143 . . . . 20.76 112.134 177.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 tpt -62.87 -39.46 94.53 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.208 0.528 . . . . 21.66 110.385 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.65 -46.85 73.26 Favored Glycine 0 C--O 1.219 -0.828 0 CA-C-O 118.917 -0.935 . . . . 14.06 112.028 174.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 mmm-85 -68.82 -39.71 79.88 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.086 0.943 . . . . 28.27 110.454 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.688 HG23 ' HE2' ' A' ' 8' ' ' MET . 95.6 t -60.44 -43.92 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 118.392 0.542 . . . . 11.69 112.045 177.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.41 -42.2 95.45 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.877 0 C-N-CA 122.796 0.439 . . . . 15.76 111.412 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -59.24 -45.05 92.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.951 0.352 . . . . 27.99 111.951 175.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.7 t -61.65 -44.42 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 116.571 -0.286 . . . . 14.9 110.472 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -56.44 -39.21 72.72 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 114.023 1.119 . . . . 33.59 114.023 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 17.1 mmtt -74.06 -38.24 64.01 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 109.439 -0.578 . . . . 27.05 109.439 -179.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -67.22 -39.23 86.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.15 -1.02 . . . . 26.94 112.55 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.37 -33.63 54.73 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 CA-C-N 115.521 -0.763 . . . . 15.53 112.923 176.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -72.86 -38.13 67.15 Favored 'General case' 0 CA--C 1.487 -1.461 0 CA-C-N 118.632 0.651 . . . . 26.34 109.639 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -39.91 76.02 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.239 -1.346 . . . . 15.51 109.981 -178.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.8 mt -59.8 -44.53 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 123.786 0.835 . . . . 14.87 112.722 171.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -65.12 -40.16 94.1 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 120.03 -0.668 . . . . 30.39 111.445 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -63.24 -37.94 89.23 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.63 0.604 . . . . 24.87 112.63 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.25 -41.24 94.5 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 112.651 0.611 . . . . 19.96 112.651 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.1 -36.48 84.41 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 113.915 1.08 . . . . 20.72 113.915 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -57.86 -38.16 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.139 -0.319 . . . . 26.28 110.139 171.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.99 -45.27 94.36 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.596 1.332 . . . . 27.02 114.596 170.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.61 -26.2 66.97 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 114.175 1.176 . . . . 27.37 114.175 176.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.11 -24.85 18.14 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 123.27 0.628 . . . . 27.53 110.762 -172.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.73 23.74 45.09 Favored Glycine 0 C--O 1.219 -0.831 0 CA-C-N 115.71 -0.677 . . . . 30.2 111.543 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 4.2 m-30 -85.9 141.36 29.63 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 103.618 -2.734 . . . . 33.11 103.618 167.601 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 20.3 m-85 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 122.786 1.279 . . . . 39.49 112.013 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 N--CA 1.508 2.47 0 CA-C-O 120.55 0.214 . . . . 32.36 111.286 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -72.19 -28.72 63.38 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 116.04 1.867 . . . . 37.8 116.04 -172.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.32 -43.28 84.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 124.129 0.972 . . . . 20.46 111.514 174.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.6 m -58.92 -47.81 83.72 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.895 -0.593 . . . . 20.22 109.435 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' MET . . . . . 0.688 ' HE2' HG23 ' A' ' 12' ' ' VAL . 15.6 ttm -59.22 -49.44 77.83 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 124.528 1.143 . . . . 20.76 112.134 177.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 tpt -62.87 -39.46 94.53 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.208 0.528 . . . . 21.66 110.385 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.65 -46.85 73.26 Favored Glycine 0 C--O 1.219 -0.828 0 CA-C-O 118.917 -0.935 . . . . 14.06 112.028 174.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 mmm-85 -68.82 -39.71 79.88 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.086 0.943 . . . . 28.27 110.454 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.688 HG23 ' HE2' ' A' ' 8' ' ' MET . 95.6 t -60.44 -43.92 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 118.392 0.542 . . . . 11.69 112.045 177.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.41 -42.2 95.45 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.877 0 C-N-CA 122.796 0.439 . . . . 15.76 111.412 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -59.24 -45.05 92.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.951 0.352 . . . . 27.99 111.951 175.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.7 t -61.65 -44.42 98.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 116.571 -0.286 . . . . 14.9 110.472 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -56.44 -39.21 72.72 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 114.023 1.119 . . . . 33.59 114.023 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 17.1 mmtt -74.06 -38.24 64.01 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 109.439 -0.578 . . . . 27.05 109.439 -179.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -67.22 -39.23 86.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.15 -1.02 . . . . 26.94 112.55 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.37 -33.63 54.73 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 CA-C-N 115.521 -0.763 . . . . 15.53 112.923 176.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -72.86 -38.13 67.15 Favored 'General case' 0 CA--C 1.487 -1.461 0 CA-C-N 118.632 0.651 . . . . 26.34 109.639 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -39.91 76.02 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.239 -1.346 . . . . 15.51 109.981 -178.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.8 mt -59.8 -44.53 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 123.786 0.835 . . . . 14.87 112.722 171.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -65.12 -40.16 94.1 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 120.03 -0.668 . . . . 30.39 111.445 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -63.24 -37.94 89.23 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.63 0.604 . . . . 24.87 112.63 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.25 -41.24 94.5 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 112.651 0.611 . . . . 19.96 112.651 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.1 -36.48 84.41 Favored 'General case' 0 C--O 1.206 -1.228 0 N-CA-C 113.915 1.08 . . . . 20.72 113.915 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -57.86 -38.16 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.139 -0.319 . . . . 26.28 110.139 171.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.99 -45.27 94.36 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.596 1.332 . . . . 27.02 114.596 170.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.61 -26.2 66.97 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 114.175 1.176 . . . . 27.37 114.175 176.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.11 -24.85 18.14 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 123.27 0.628 . . . . 27.53 110.762 -172.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.73 23.74 45.09 Favored Glycine 0 C--O 1.219 -0.831 0 CA-C-N 115.71 -0.677 . . . . 30.2 111.543 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 4.2 m-30 -85.9 141.36 29.63 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 103.618 -2.734 . . . . 33.11 103.618 167.601 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 20.3 m-85 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 122.786 1.279 . . . . 39.49 112.013 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_