data_1pru_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 1pru _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' ' ' MET . . . . . . . . . . . . . 30.5 tpp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.76 62.06 7.18 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -130.65 166.11 21.39 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.4 tt -60.11 -25.19 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.176 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.39 -63.03 1.45 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.788 0.435 . . . . 0.0 110.077 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.65 -47.1 85.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.038 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -53.1 -45.77 53.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.65 -43.5 80.41 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.217 0.207 . . . . 0.0 111.001 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -68.25 -47.83 66.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -60.46 -37.7 81.83 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.74 -51.96 23.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.452 0.301 . . . . 0.0 110.53 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -154.49 -82.49 0.08 Allowed 'General case' 0 C--N 1.342 0.277 0 CA-C-O 119.679 -0.2 . . . . 0.0 110.762 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -141.68 -75.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 117.673 0.215 . . . . 0.0 110.674 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.8 m -117.25 166.78 11.87 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.2 p -54.34 -25.48 24.31 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.763 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 p -49.83 -49.19 49.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -55.18 -45.43 75.77 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.2 t -62.81 -46.84 95.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -57.2 -43.68 82.97 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 122.389 0.276 . . . . 0.0 110.493 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -55.79 -45.49 78.21 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.95 -57.3 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.18 -51.81 68.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -64.48 -25.53 68.04 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt 63.15 53.4 2.28 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 122.853 0.461 . . . . 0.0 109.93 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 p -109.79 -78.72 0.59 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -77.56 87.44 3.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.62 107.11 0.41 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.4 m -86.55 174.38 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 160.17 28.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -58.95 -29.84 67.44 Favored 'General case' 0 C--O 1.225 -0.19 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.68 -54.3 47.96 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -64.29 -43.96 93.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.1 ttm105 -54.77 -51.9 64.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.87 -41.63 97.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.69 81.84 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.515 -0.179 . . . . 0.0 110.515 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.82 -56.97 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -58.47 -38.08 76.81 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 110.674 -0.121 . . . . 0.0 110.674 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.8 -55.02 22.19 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.06 -43.52 70.31 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.553 0.341 . . . . 0.0 110.838 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.7 mt -54.6 -42.56 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 122.462 0.305 . . . . 0.0 110.572 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.26 -42.04 23.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -58.29 -48.0 81.88 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.411 0.284 . . . . 0.0 110.888 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.6 mt -79.98 2.11 24.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.949 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 54.61 41.67 31.79 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -37.92 127.84 1.24 Allowed 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.463 0.705 . . . . 0.0 110.866 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.3 t -113.84 100.98 53.41 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.785 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -73.97 71.93 4.09 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.549 2.166 . . . . 0.0 109.457 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.1 m 54.42 39.97 31.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.142 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.86 87.59 0.66 Allowed 'General case' 0 C--N 1.342 0.265 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.44 -29.3 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.681 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.22 -69.01 0.28 Allowed 'General case' 0 C--N 1.342 0.263 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -166.36 -137.91 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.4 p -167.62 88.8 0.29 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -162.48 169.74 19.85 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 tptp 61.17 -149.88 0.41 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.966 -1.493 . . . . 0.0 108.967 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 tpp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.76 62.06 7.18 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -130.65 166.11 21.39 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.4 tt -60.11 -25.19 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.176 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.39 -63.03 1.45 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.788 0.435 . . . . 0.0 110.077 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.65 -47.1 85.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.038 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -53.1 -45.77 53.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.65 -43.5 80.41 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.217 0.207 . . . . 0.0 111.001 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -68.25 -47.83 66.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -60.46 -37.7 81.83 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.74 -51.96 23.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.452 0.301 . . . . 0.0 110.53 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -154.49 -82.49 0.08 Allowed 'General case' 0 C--N 1.342 0.277 0 CA-C-O 119.679 -0.2 . . . . 0.0 110.762 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -141.68 -75.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 117.673 0.215 . . . . 0.0 110.674 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.8 m -117.25 166.78 11.87 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.2 p -54.34 -25.48 24.31 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.763 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 p -49.83 -49.19 49.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -55.18 -45.43 75.77 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.2 t -62.81 -46.84 95.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -57.2 -43.68 82.97 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 122.389 0.276 . . . . 0.0 110.493 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -55.79 -45.49 78.21 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.95 -57.3 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.18 -51.81 68.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -64.48 -25.53 68.04 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt 63.15 53.4 2.28 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 122.853 0.461 . . . . 0.0 109.93 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 p -109.79 -78.72 0.59 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -77.56 87.44 3.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.62 107.11 0.41 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.4 m -86.55 174.38 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 160.17 28.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -58.95 -29.84 67.44 Favored 'General case' 0 C--O 1.225 -0.19 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.68 -54.3 47.96 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -64.29 -43.96 93.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.1 ttm105 -54.77 -51.9 64.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.87 -41.63 97.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.69 81.84 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.515 -0.179 . . . . 0.0 110.515 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.82 -56.97 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -58.47 -38.08 76.81 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 110.674 -0.121 . . . . 0.0 110.674 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.8 -55.02 22.19 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.06 -43.52 70.31 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.553 0.341 . . . . 0.0 110.838 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.7 mt -54.6 -42.56 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 122.462 0.305 . . . . 0.0 110.572 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.26 -42.04 23.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -58.29 -48.0 81.88 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.411 0.284 . . . . 0.0 110.888 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.6 mt -79.98 2.11 24.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.949 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 54.61 41.67 31.79 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -37.92 127.84 1.24 Allowed 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.463 0.705 . . . . 0.0 110.866 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.3 t -113.84 100.98 53.41 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.785 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -73.97 71.93 4.09 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.549 2.166 . . . . 0.0 109.457 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.1 m 54.42 39.97 31.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.142 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.86 87.59 0.66 Allowed 'General case' 0 C--N 1.342 0.265 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.44 -29.3 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.681 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.22 -69.01 0.28 Allowed 'General case' 0 C--N 1.342 0.263 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -166.36 -137.91 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.4 p -167.62 88.8 0.29 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 54' ' ' LEU . 2.0 pt? -162.48 169.74 19.85 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 tptp 61.17 -149.88 0.41 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.966 -1.493 . . . . 0.0 108.967 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 tpp . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.76 62.06 7.18 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -130.65 166.11 21.39 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.4 tt -60.11 -25.19 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.176 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.39 -63.03 1.45 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.788 0.435 . . . . 0.0 110.077 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.65 -47.1 85.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.038 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -53.1 -45.77 53.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.65 -43.5 80.41 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.217 0.207 . . . . 0.0 111.001 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -68.25 -47.83 66.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -60.46 -37.7 81.83 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.74 -51.96 23.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.452 0.301 . . . . 0.0 110.53 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -154.49 -82.49 0.08 Allowed 'General case' 0 C--N 1.342 0.277 0 CA-C-O 119.679 -0.2 . . . . 0.0 110.762 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -141.68 -75.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 117.673 0.215 . . . . 0.0 110.674 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.8 m -117.25 166.78 11.87 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.2 p -54.34 -25.48 24.31 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.763 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 p -49.83 -49.19 49.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -55.18 -45.43 75.77 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.2 t -62.81 -46.84 95.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -57.2 -43.68 82.97 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 122.389 0.276 . . . . 0.0 110.493 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -55.79 -45.49 78.21 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.95 -57.3 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.18 -51.81 68.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -64.48 -25.53 68.04 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt 63.15 53.4 2.28 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 122.853 0.461 . . . . 0.0 109.93 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 p -109.79 -78.72 0.59 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -77.56 87.44 3.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.62 107.11 0.41 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.4 m -86.55 174.38 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 160.17 28.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -58.95 -29.84 67.44 Favored 'General case' 0 C--O 1.225 -0.19 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.68 -54.3 47.96 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -64.29 -43.96 93.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.1 ttm105 -54.77 -51.9 64.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.87 -41.63 97.7 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.69 81.84 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.515 -0.179 . . . . 0.0 110.515 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.82 -56.97 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -58.47 -38.08 76.81 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 110.674 -0.121 . . . . 0.0 110.674 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.8 -55.02 22.19 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.06 -43.52 70.31 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.553 0.341 . . . . 0.0 110.838 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.7 mt -54.6 -42.56 61.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 122.462 0.305 . . . . 0.0 110.572 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.26 -42.04 23.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -58.29 -48.0 81.88 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.411 0.284 . . . . 0.0 110.888 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.6 mt -79.98 2.11 24.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.949 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 54.61 41.67 31.79 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -37.92 127.84 1.24 Allowed 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.463 0.705 . . . . 0.0 110.866 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.3 t -113.84 100.98 53.41 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.785 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -73.97 71.93 4.09 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.549 2.166 . . . . 0.0 109.457 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.1 m 54.42 39.97 31.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.142 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.86 87.59 0.66 Allowed 'General case' 0 C--N 1.342 0.265 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.44 -29.3 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.681 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.22 -69.01 0.28 Allowed 'General case' 0 C--N 1.342 0.263 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -166.36 -137.91 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.4 p -167.62 88.8 0.29 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 54' ' ' LEU . 2.0 pt? -162.48 169.74 19.85 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 tptp 61.17 -149.88 0.41 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.966 -1.493 . . . . 0.0 108.967 -179.971 . . . . . . . . 0 0 . 1 stop_ save_