data_4qkl_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 4qkl _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 ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 22.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 p -145.01 160.69 40.96 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.809 -0.557 . . . . 21.859999999999999 110.824 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.6 m -129.09 166.94 18.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.43 -0.805 . . . . 18.850000000000001 111.043 -176.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.02 137.04 87.85 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.427 -0.953 . . . . 23.829999999999998 108.427 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -53.67 -31.7 61.59 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 N-CA-C 113.742 0.631 . . . . 25.18 113.742 179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.64 -40.56 95.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 29.91 110.805 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.0 t -68.92 -38.95 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 18.73 110.686 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.23 -47.91 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.69 -0.485 . . . . 24.0 109.69 178.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.59 88.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.866 0.365 . . . . 24.920000000000002 111.266 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.95 87.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 20.600000000000001 111.4 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 m -66.57 -40.56 89.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 24.870000000000001 111.605 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.38 -41.04 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 116.032 -0.531 . . . . 36.079999999999998 109.766 175.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.5 mt -61.56 -43.64 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.24 -0.891 . . . . 26.559999999999999 110.846 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.68 -42.17 99.24 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.289 -0.414 . . . . 21.100000000000001 113.101 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.3 mt -69.14 -41.79 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.135 -0.32 . . . . 26.5 110.135 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.13 -35.14 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.334 . . . . 42.130000000000003 110.728 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -56.43 -49.51 74.36 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.531 -0.304 . . . . 31.949999999999999 110.35 172.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.42 -47.18 87.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 33.859999999999999 111.169 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.04 -44.19 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.312 -0.255 . . . . 30.07 110.312 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt -65.23 -35.55 81.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 37.530000000000001 111.437 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -64.37 -46.95 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.468 -0.333 . . . . 42.390000000000001 111.073 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.99 -48.53 87.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.34 -0.391 . . . . 27.620000000000001 110.921 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.67 -37.2 83.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 34.740000000000002 111.615 -178.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.15 -43.16 99.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.058 0.456 . . . . 48.509999999999998 110.161 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -72.39 -30.12 64.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 99.980000000000004 111.398 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.01 157.17 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.158 0.504 . . . . 36.409999999999997 111.656 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.641 -0.709 . . . . 28.850000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 18.390000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 p -145.01 160.69 40.96 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.809 -0.557 . . . . 21.859999999999999 110.824 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.6 m -129.09 166.94 18.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.43 -0.805 . . . . 15.710000000000001 111.043 -176.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.02 137.04 87.85 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.427 -0.953 . . . . 23.829999999999998 108.427 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -53.67 -31.7 61.59 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 N-CA-C 113.742 0.631 . . . . 20.98 113.742 179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.64 -40.56 95.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 44.609999999999999 110.805 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.0 t -68.92 -38.95 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 15.68 110.686 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.23 -47.91 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.69 -0.485 . . . . 20.0 109.69 178.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.59 88.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.866 0.365 . . . . 20.77 111.266 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.95 87.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 17.18 111.4 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 m -66.57 -40.56 89.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 20.719999999999999 111.605 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.38 -41.04 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 116.032 -0.531 . . . . 30.059999999999999 109.766 175.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.5 mt -61.56 -43.64 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.24 -0.891 . . . . 22.140000000000001 110.846 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.68 -42.17 99.24 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.289 -0.414 . . . . 18.969999999999999 113.101 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.3 mt -69.14 -41.79 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.135 -0.32 . . . . 26.539999999999999 110.135 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.13 -35.14 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.334 . . . . 35.109999999999999 110.728 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -56.43 -49.51 74.36 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.531 -0.304 . . . . 26.620000000000001 110.35 172.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.42 -47.18 87.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 28.219999999999999 111.169 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.04 -44.19 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.312 -0.255 . . . . 28.18 110.312 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt -65.23 -35.55 81.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 31.280000000000001 111.437 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -64.37 -46.95 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.468 -0.333 . . . . 35.32 111.073 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.99 -48.53 87.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.34 -0.391 . . . . 23.010000000000002 110.921 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.67 -37.2 83.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 28.949999999999999 111.615 -178.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.15 -43.16 99.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.058 0.456 . . . . 48.509999999999998 110.161 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -72.39 -30.12 64.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 83.319999999999993 111.398 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.01 157.17 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.158 0.504 . . . . 30.34 111.656 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.641 -0.709 . . . . 24.039999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 18.390000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 p -145.01 160.69 40.96 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.809 -0.557 . . . . 21.859999999999999 110.824 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.6 m -129.09 166.94 18.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.43 -0.805 . . . . 15.710000000000001 111.043 -176.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.02 137.04 87.85 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 108.427 -0.953 . . . . 23.829999999999998 108.427 171.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -53.67 -31.7 61.59 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 N-CA-C 113.742 0.631 . . . . 20.98 113.742 179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.64 -40.56 95.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 44.609999999999999 110.805 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.0 t -68.92 -38.95 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 15.68 110.686 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.23 -47.91 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.69 -0.485 . . . . 20.0 109.69 178.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.59 88.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.866 0.365 . . . . 20.77 111.266 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.95 87.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 17.18 111.4 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 m -66.57 -40.56 89.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 20.719999999999999 111.605 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.38 -41.04 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 116.032 -0.531 . . . . 30.059999999999999 109.766 175.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.5 mt -61.56 -43.64 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.24 -0.891 . . . . 22.140000000000001 110.846 -177.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.68 -42.17 99.24 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.289 -0.414 . . . . 18.969999999999999 113.101 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.3 mt -69.14 -41.79 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.135 -0.32 . . . . 26.539999999999999 110.135 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.13 -35.14 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.334 . . . . 35.109999999999999 110.728 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -56.43 -49.51 74.36 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.531 -0.304 . . . . 26.620000000000001 110.35 172.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.42 -47.18 87.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 28.219999999999999 111.169 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.04 -44.19 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.312 -0.255 . . . . 28.18 110.312 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt -65.23 -35.55 81.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 31.280000000000001 111.437 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -64.37 -46.95 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.468 -0.333 . . . . 35.32 111.073 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.99 -48.53 87.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.34 -0.391 . . . . 23.010000000000002 110.921 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.67 -37.2 83.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 28.949999999999999 111.615 -178.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.15 -43.16 99.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.058 0.456 . . . . 48.509999999999998 110.161 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -72.39 -30.12 64.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 83.319999999999993 111.398 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.01 157.17 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.158 0.504 . . . . 30.34 111.656 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.641 -0.709 . . . . 24.039999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_