data_2k38_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 2k38 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.13 75.9 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.23 19.12 44.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.444 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.82 -8.76 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 111.331 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.441 ' HA ' ' HD2' ' A' ' 8' ' ' PHE . 1.8 pp -82.57 -12.51 57.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.096 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -75.36 -10.89 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.998 0.428 . . . . 0.0 110.502 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -121.04 -11.85 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.341 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.441 ' HD2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -96.84 -30.31 13.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.64 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.11 -19.41 51.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.684 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.31 -12.22 60.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.084 0.468 . . . . 0.0 110.338 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -102.76 -12.88 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.204 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.45 -63.31 1.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.427 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.2 t -56.01 -32.3 33.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.41 45.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.985 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -131.91 -47.41 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -79.36 -35.38 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.4 -32.88 60.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 -31.64 68.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -89.64 -26.39 20.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.29 58.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.88 -2.16 55.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.01 10.7 11.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.211 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -24.75 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -127.9 9.82 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.986 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.56 -24.94 73.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.39 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.2 92.12 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -136.72 -33.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.66 5.5 50.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.67 -22.01 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.25 -33.08 56.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -92.81 -20.28 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.67 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -77.34 -32.7 55.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.53 -30.45 70.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -36.95 78.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.6 -45.01 95.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.13 75.9 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.23 19.12 44.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.444 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.82 -8.76 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 111.331 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 1.8 pp -82.57 -12.51 57.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.096 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -75.36 -10.89 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.998 0.428 . . . . 0.0 110.502 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -121.04 -11.85 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.341 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -96.84 -30.31 13.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.64 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.11 -19.41 51.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.684 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -68.31 -12.22 60.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.084 0.468 . . . . 0.0 110.338 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -102.76 -12.88 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.204 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.45 -63.31 1.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.427 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.2 t -56.01 -32.3 33.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -104.41 45.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.985 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -131.91 -47.41 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -79.36 -35.38 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.4 -32.88 60.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 -31.64 68.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -89.64 -26.39 20.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.29 58.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.88 -2.16 55.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.01 10.7 11.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.211 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -24.75 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -127.9 9.82 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.986 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.56 -24.94 73.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.39 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.2 92.12 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -136.72 -33.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.66 5.5 50.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.67 -22.01 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.25 -33.08 56.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -92.81 -20.28 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.67 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -77.34 -32.7 55.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.53 -30.45 70.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -36.95 78.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.6 -45.01 95.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.13 75.9 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.23 19.12 44.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.444 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.82 -8.76 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 111.331 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 1.8 pp -82.57 -12.51 57.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.096 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -75.36 -10.89 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.998 0.428 . . . . 0.0 110.502 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -121.04 -11.85 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.341 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -96.84 -30.31 13.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.64 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.11 -19.41 51.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.684 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -68.31 -12.22 60.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.084 0.468 . . . . 0.0 110.338 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -102.76 -12.88 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.204 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.45 -63.31 1.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.427 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.2 t -56.01 -32.3 33.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -104.41 45.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.985 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -131.91 -47.41 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -79.36 -35.38 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.4 -32.88 60.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.47 -31.64 68.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -89.64 -26.39 20.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.29 58.39 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.88 -2.16 55.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.01 10.7 11.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.211 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -24.75 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -127.9 9.82 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.986 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.56 -24.94 73.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.39 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.2 92.12 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -136.72 -33.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.66 5.5 50.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.67 -22.01 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.25 -33.08 56.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -92.81 -20.28 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.67 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -77.34 -32.7 55.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.53 -30.45 70.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -36.95 78.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.6 -45.01 95.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_