data_2vy5_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 2vy5 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 p -66.68 83.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -159.14 65.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.0 121.15 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.78 136.93 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.728 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 68' ' ' LYS . 11.4 p -129.03 160.56 39.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.502 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mt -105.4 141.03 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.085 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.54 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.9 p -91.48 140.63 25.44 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.834 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -84.71 48.09 2.3 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.928 2.419 . . . . 0.0 111.67 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -134.43 -49.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.981 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -99.33 -79.07 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.855 179.04 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 6.3 t 144.61 -55.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.769 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -94.87 46.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.437 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 0.8 OUTLIER -115.9 114.17 24.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.52 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -113.86 110.84 20.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.939 0.4 . . . . 0.0 111.409 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.458 ' HE1' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -142.03 157.0 64.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.345 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.69 135.68 56.87 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.168 1.912 . . . . 0.0 112.233 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.449 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 41.8 tttt -51.92 -25.03 7.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -99.6 28.64 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.863 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -139.54 13.7 2.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.221 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' CD1' ' CD2' ' A' ' 74' ' ' HIS . 1.1 mm? -57.5 -43.74 84.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.789 0.328 . . . . 0.0 110.353 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.5 74.04 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.149 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -63.97 -30.12 71.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.12 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.54 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -72.71 -49.0 34.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.734 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.424 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.77 -37.94 74.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.752 0.311 . . . . 0.0 110.193 -179.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.39 -24.08 7.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.765 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.4 t -115.11 -54.8 2.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.829 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.6 t -60.15 -49.56 77.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -39.05 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.028 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.28 -29.19 70.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -93.85 -56.08 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.079 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -68.0 -53.1 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.198 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -87.72 155.21 20.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.51 -57.44 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.428 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.412 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -178.0 116.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.32 -44.67 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' HE3' ' CD1' ' A' ' 85' ' ' TYR . 2.5 mptt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 p -66.68 83.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -159.14 65.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.0 121.15 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -89.78 136.93 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.728 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 66' ' ' MET . 11.4 p -129.03 160.56 39.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.502 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.519 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 mt -105.4 141.03 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.085 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.54 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.9 p -91.48 140.63 25.44 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.834 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -84.71 48.09 2.3 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.928 2.419 . . . . 0.0 111.67 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -134.43 -49.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.981 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -99.33 -79.07 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.855 179.04 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 6.3 t 144.61 -55.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.769 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -94.87 46.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.444 ' HB3' ' HE1' ' A' ' 66' ' ' MET . 0.8 OUTLIER -115.9 114.17 24.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.52 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.415 ' HB3' HG11 ' A' ' 55' ' ' VAL . 39.2 m80 -113.86 110.84 20.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.939 0.4 . . . . 0.0 111.409 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.559 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.03 157.0 64.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.345 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.69 135.68 56.87 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.168 1.912 . . . . 0.0 112.233 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.557 ' HA ' HG11 ' A' ' 56' ' ' VAL . 41.8 tttt -51.92 -25.03 7.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -99.6 28.64 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.863 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -139.54 13.7 2.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.221 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.859 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.1 mm? -57.5 -43.74 84.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.789 0.328 . . . . 0.0 110.353 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.5 74.04 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.149 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -63.97 -30.12 71.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.12 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.859 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -72.71 -49.0 34.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.734 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.424 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.77 -37.94 74.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.752 0.311 . . . . 0.0 110.193 -179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.39 -24.08 7.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.765 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.4 t -115.11 -54.8 2.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.829 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.6 t -60.15 -49.56 77.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -39.05 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.028 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.28 -29.19 70.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -93.85 -56.08 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.079 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -68.0 -53.1 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.198 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -87.72 155.21 20.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.51 -57.44 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.428 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.422 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -178.0 116.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.32 -44.67 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HE3' ' CD1' ' A' ' 85' ' ' TYR . 2.5 mptt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 p -66.68 83.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -159.14 65.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.0 121.15 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -89.78 136.93 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.728 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 66' ' ' MET . 11.4 p -129.03 160.56 39.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.502 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.519 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 mt -105.4 141.03 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.085 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.54 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.9 p -91.48 140.63 25.44 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.834 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -84.71 48.09 2.3 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.928 2.419 . . . . 0.0 111.67 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -134.43 -49.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.981 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -99.33 -79.07 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.855 179.04 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 6.3 t 144.61 -55.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.769 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -94.87 46.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.444 ' HB3' ' HE1' ' A' ' 66' ' ' MET . 0.8 OUTLIER -115.9 114.17 24.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.52 179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.415 ' HB3' HG11 ' A' ' 55' ' ' VAL . 39.2 m80 -113.86 110.84 20.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.939 0.4 . . . . 0.0 111.409 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.559 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.03 157.0 64.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.345 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.69 135.68 56.87 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.168 1.912 . . . . 0.0 112.233 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.557 ' HA ' HG11 ' A' ' 56' ' ' VAL . 41.8 tttt -51.92 -25.03 7.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -99.6 28.64 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.863 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -139.54 13.7 2.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.221 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.859 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.1 mm? -57.5 -43.74 84.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.789 0.328 . . . . 0.0 110.353 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.5 74.04 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.149 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -63.97 -30.12 71.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.12 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.859 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -72.71 -49.0 34.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.734 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.424 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.77 -37.94 74.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.752 0.311 . . . . 0.0 110.193 -179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.39 -24.08 7.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.765 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.4 t -115.11 -54.8 2.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.829 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.6 t -60.15 -49.56 77.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -39.05 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.028 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.28 -29.19 70.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -93.85 -56.08 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.079 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -68.0 -53.1 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.198 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -87.72 155.21 20.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.51 -57.44 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.428 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.422 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -178.0 116.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.32 -44.67 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HE3' ' CD1' ' A' ' 85' ' ' TYR . 2.5 mptt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_