data_1bbl_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 1bbl _Structure_validation_residue.Date_analyzed 2016-10-06 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 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 120.778 0.323 . . . . 3.8399999999999999 110.131 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.33 163.03 36.92 Favored Pre-proline 0 N--CA 1.491 1.618 0 C-N-CA 119.394 -0.922 . . . . 2.5800000000000001 109.877 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -61.65 -15.37 41.43 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 C-N-CA 121.559 1.506 . . . . 2.21 111.096 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.57 -3.68 39.17 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 119.358 -0.937 . . . . 1.8500000000000001 111.105 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 17' ' ' ARG . 15.6 tt -65.96 -37.05 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 C-N-CA 118.998 -1.081 . . . . 1.5800000000000001 110.498 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 69.7 mtt180 -65.46 -47.98 74.27 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.378 -0.929 . . . . 4.54 110.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -72.63 -12.57 61.1 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.39 -0.924 . . . . 4.2699999999999996 110.279 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tp -66.5 -31.77 72.71 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.305 -0.958 . . . . 1.29 110.139 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.25 -30.31 34.17 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.376 -0.929 . . . . 1.3999999999999999 110.27 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.21 -8.24 57.07 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.37 -0.932 . . . . 1.3700000000000001 110.208 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -87.46 -44.92 10.96 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.386 -0.926 . . . . 2.1000000000000001 110.17 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -97.89 0.92 47.5 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.436 -0.906 . . . . 0.95999999999999996 110.135 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.81 89.58 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.397 -0.921 . . . . 2.77 110.29 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -143.22 139.17 30.14 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.397 -0.921 . . . . 1.6100000000000001 110.1 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -87.65 109.98 20.07 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.479 -0.888 . . . . 2.4900000000000002 110.16 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.43 -16.51 55.45 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 119.431 -0.908 . . . . 1.3700000000000001 110.262 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -61.42 -28.01 68.95 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.42 -0.912 . . . . 2.1499999999999999 110.253 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.75 -13.08 49.39 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.352 -0.939 . . . . 1.4099999999999999 110.216 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.1 mm -97.36 145.31 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 119.526 -0.87 . . . . 1.29 110.084 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -95.01 122.25 37.47 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.431 -0.907 . . . . 4.0700000000000003 110.165 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 34' ' ' GLY . . . -94.9 84.22 0.94 Allowed Glycine 0 N--CA 1.49 2.297 0 C-N-CA 119.389 -1.386 . . . . 1.71 110.373 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.8 p -78.38 32.43 0.19 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 119.479 -0.888 . . . . 2.4199999999999999 110.198 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 32' ' ' GLY . . . -62.87 176.78 6.87 Favored Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.396 -1.383 . . . . 2.0099999999999998 110.353 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.03 78.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 119.401 -0.92 . . . . 3.2400000000000002 110.167 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.56 13.88 4.1 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.256 -1.138 . . . . 2.8999999999999999 110.256 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.17 30.27 23.12 Favored Glycine 0 N--CA 1.491 2.314 0 C-N-CA 119.373 -1.394 . . . . 2.3199999999999998 110.331 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 mtp85 -93.62 161.95 14.14 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.409 -0.916 . . . . 4.9699999999999998 110.236 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 tp -96.51 112.59 24.28 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.463 -0.895 . . . . 1.52 110.183 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.415 ' OG1' ' OD2' ' A' ' 43' ' ' ASP . 33.2 p -96.84 -165.18 1.23 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.486 -0.885 . . . . 1.48 110.17 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -94.64 -26.09 16.49 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.401 -0.919 . . . . 3.2200000000000002 110.242 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -73.37 -1.1 16.75 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.421 -0.911 . . . . 2.6000000000000001 110.228 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.415 ' OD2' ' OG1' ' A' ' 40' ' ' THR . 7.8 m-20 -98.37 -52.66 3.58 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 119.536 -0.865 . . . . 1.3300000000000001 110.206 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.35 -32.82 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 119.419 -0.912 . . . . 1.28 110.378 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -55.02 -55.95 25.19 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.38 -0.928 . . . . 2.46 110.204 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -47.69 -32.23 5.51 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.366 -0.934 . . . . 3.5 110.307 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -73.32 -38.74 65.71 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.257 -0.977 . . . . 1.1200000000000001 110.133 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.491 1.617 0 C-N-CA 119.434 -0.906 . . . . 1.5 110.299 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.4 mt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 120.778 0.323 . . . . 3.48 110.131 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.498 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -144.33 163.03 36.92 Favored Pre-proline 0 N--CA 1.491 1.618 0 C-N-CA 119.394 -0.922 . . . . 2.3399999999999999 109.877 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -61.65 -15.37 41.43 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 C-N-CA 121.559 1.506 . . . . 1.96 111.096 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.57 -3.68 39.17 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 119.358 -0.937 . . . . 1.3600000000000001 111.105 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 13' ' ' SER . 15.6 tt -65.96 -37.05 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 C-N-CA 118.998 -1.081 . . . . 1.05 110.498 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 16' ' ' ILE . 69.7 mtt180 -65.46 -47.98 74.27 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.378 -0.929 . . . . 3.8100000000000001 110.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -72.63 -12.57 61.1 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.39 -0.924 . . . . 3.6000000000000001 110.279 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tp -66.5 -31.77 72.71 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.305 -0.958 . . . . 0.71999999999999997 110.139 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.25 -30.31 34.17 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.376 -0.929 . . . . 0.89000000000000001 110.27 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.21 -8.24 57.07 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.37 -0.932 . . . . 0.90000000000000002 110.208 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -87.46 -44.92 10.96 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.386 -0.926 . . . . 2.1000000000000001 110.17 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -97.89 0.92 47.5 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.436 -0.906 . . . . 0.81999999999999995 110.135 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.81 89.58 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.397 -0.921 . . . . 2.25 110.29 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 25' ' ' LEU . 27.5 mt -143.22 139.17 30.14 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.397 -0.921 . . . . 1.0800000000000001 110.1 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -87.65 109.98 20.07 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.479 -0.888 . . . . 2.4900000000000002 110.16 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.43 -16.51 55.45 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 119.431 -0.908 . . . . 0.83999999999999997 110.262 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -61.42 -28.01 68.95 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.42 -0.912 . . . . 1.75 110.253 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.75 -13.08 49.39 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.352 -0.939 . . . . 0.91000000000000003 110.216 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.1 mm -97.36 145.31 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 119.526 -0.87 . . . . 0.82999999999999996 110.084 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -95.01 122.25 37.47 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.431 -0.907 . . . . 3.6499999999999999 110.165 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 34' ' ' GLY . . . -94.9 84.22 0.94 Allowed Glycine 0 N--CA 1.49 2.297 0 C-N-CA 119.389 -1.386 . . . . 1.71 110.373 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.8 p -78.38 32.43 0.19 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 119.479 -0.888 . . . . 2.4199999999999999 110.198 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 32' ' ' GLY . . . -62.87 176.78 6.87 Favored Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.396 -1.383 . . . . 2.0099999999999998 110.353 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.03 78.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 119.401 -0.92 . . . . 3.0699999999999998 110.167 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.56 13.88 4.1 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.256 -1.138 . . . . 2.6800000000000002 110.256 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.17 30.27 23.12 Favored Glycine 0 N--CA 1.491 2.314 0 C-N-CA 119.373 -1.394 . . . . 2.1299999999999999 110.331 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 mtp85 -93.62 161.95 14.14 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.409 -0.916 . . . . 4.2699999999999996 110.236 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 tp -96.51 112.59 24.28 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.463 -0.895 . . . . 1.1799999999999999 110.183 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.415 ' OG1' ' OD2' ' A' ' 43' ' ' ASP . 33.2 p -96.84 -165.18 1.23 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.486 -0.885 . . . . 0.95999999999999996 110.17 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -94.64 -26.09 16.49 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.401 -0.919 . . . . 2.7400000000000002 110.242 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -73.37 -1.1 16.75 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.421 -0.911 . . . . 2.6000000000000001 110.228 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.415 ' OD2' ' OG1' ' A' ' 40' ' ' THR . 7.8 m-20 -98.37 -52.66 3.58 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 119.536 -0.865 . . . . 1.3300000000000001 110.206 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.35 -32.82 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 119.419 -0.912 . . . . 0.73999999999999999 110.378 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -55.02 -55.95 25.19 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.38 -0.928 . . . . 2.46 110.204 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -47.69 -32.23 5.51 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.366 -0.934 . . . . 3.1200000000000001 110.307 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -73.32 -38.74 65.71 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.257 -0.977 . . . . 0.97999999999999998 110.133 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.491 1.617 0 C-N-CA 119.434 -0.906 . . . . 1.5 110.299 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.4 mt . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 120.778 0.323 . . . . 3.48 110.131 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.498 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -144.33 163.03 36.92 Favored Pre-proline 0 N--CA 1.491 1.618 0 C-N-CA 119.394 -0.922 . . . . 2.34 109.877 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -61.65 -15.37 41.43 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 C-N-CA 121.559 1.506 . . . . 1.96 111.096 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.57 -3.68 39.17 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 119.358 -0.937 . . . . 1.36 111.105 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 13' ' ' SER . 15.6 tt -65.96 -37.05 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 C-N-CA 118.998 -1.081 . . . . 1.05 110.498 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 16' ' ' ILE . 69.7 mtt180 -65.46 -47.98 74.27 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.378 -0.929 . . . . 3.81 110.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -72.63 -12.57 61.1 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.39 -0.924 . . . . 3.6 110.279 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tp -66.5 -31.77 72.71 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.305 -0.958 . . . . 0.72 110.139 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.25 -30.31 34.17 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.376 -0.929 . . . . 0.89 110.27 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.21 -8.24 57.07 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.37 -0.932 . . . . 0.9 110.208 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -87.46 -44.92 10.96 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.386 -0.926 . . . . 2.1 110.17 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -97.89 0.92 47.5 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.436 -0.906 . . . . 0.82 110.135 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.81 89.58 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.397 -0.921 . . . . 2.25 110.29 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 25' ' ' LEU . 27.5 mt -143.22 139.17 30.14 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.397 -0.921 . . . . 1.08 110.1 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -87.65 109.98 20.07 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.479 -0.888 . . . . 2.49 110.16 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.43 -16.51 55.45 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 119.431 -0.908 . . . . 0.84 110.262 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -61.42 -28.01 68.95 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.42 -0.912 . . . . 1.75 110.253 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.75 -13.08 49.39 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.352 -0.939 . . . . 0.91 110.216 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.1 mm -97.36 145.31 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 119.526 -0.87 . . . . 0.83 110.084 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -95.01 122.25 37.47 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.431 -0.907 . . . . 3.65 110.165 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 34' ' ' GLY . . . -94.9 84.22 0.94 Allowed Glycine 0 N--CA 1.49 2.297 0 C-N-CA 119.389 -1.386 . . . . 1.71 110.373 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.8 p -78.38 32.43 0.19 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 119.479 -0.888 . . . . 2.42 110.198 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 32' ' ' GLY . . . -62.87 176.78 6.87 Favored Glycine 0 N--CA 1.49 2.25 0 C-N-CA 119.396 -1.383 . . . . 2.01 110.353 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.03 78.18 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 119.401 -0.92 . . . . 3.07 110.167 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.56 13.88 4.1 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.256 -1.138 . . . . 2.68 110.256 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.17 30.27 23.12 Favored Glycine 0 N--CA 1.491 2.314 0 C-N-CA 119.373 -1.394 . . . . 2.13 110.331 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 mtp85 -93.62 161.95 14.14 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.409 -0.916 . . . . 4.27 110.236 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 tp -96.51 112.59 24.28 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.463 -0.895 . . . . 1.18 110.183 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.415 ' OG1' ' OD2' ' A' ' 43' ' ' ASP . 33.2 p -96.84 -165.18 1.23 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.486 -0.885 . . . . 0.96 110.17 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -94.64 -26.09 16.49 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.401 -0.919 . . . . 2.74 110.242 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -73.37 -1.1 16.75 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 119.421 -0.911 . . . . 2.6 110.228 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.415 ' OD2' ' OG1' ' A' ' 40' ' ' THR . 7.8 m-20 -98.37 -52.66 3.58 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 119.536 -0.865 . . . . 1.33 110.206 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.35 -32.82 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 119.419 -0.912 . . . . 0.74 110.378 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -55.02 -55.95 25.19 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.38 -0.928 . . . . 2.46 110.204 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -47.69 -32.23 5.51 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.366 -0.934 . . . . 3.12 110.307 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -73.32 -38.74 65.71 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.257 -0.977 . . . . 0.98 110.133 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.491 1.617 0 C-N-CA 119.434 -0.906 . . . . 1.5 110.299 -179.939 . . . . . . . . 0 0 . 1 stop_ save_