data_6h3e_residue ############################ # Computer software used # ############################ 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 6h3e _Structure_validation_residue.Date_analyzed 2019-07-19 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 core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 121.271 0.558 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.255 3.3 t70 -173.6 140.63 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.903 2.081 . . . . 0.0 108.296 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -88.28 -33.37 18.07 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.79 2.436 . . . . 0.0 113.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 82.46 145.24 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 130.168 3.387 . . . . 0.0 114.418 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -172.0 145.4 1.6 Allowed Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 127.119 2.168 . . . . 0.0 109.318 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -88.06 8.44 4.13 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 123.37 2.713 . . . . 0.0 113.143 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -144.64 160.36 41.3 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.001 1.72 . . . . 0.0 112.493 -173.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 86.89 155.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.261 2.624 . . . . 0.0 115.655 165.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 126.245 1.818 . . . . 0.0 107.3 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 121.069 0.462 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.263 5.2 t70 -158.99 141.61 14.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.077 1.751 . . . . 0.0 108.928 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -82.52 -33.69 28.18 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.839 2.055 . . . . 0.0 114.208 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 68.8 149.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 129.152 2.981 . . . . 0.0 115.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -157.63 114.98 1.87 Allowed Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.955 167.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -83.82 28.67 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.464 3.443 . . . . 0.0 111.389 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 161.17 41.38 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.117 1.367 . . . . 0.0 113.494 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 81.06 154.86 0.13 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.68 2.392 . . . . 0.0 112.814 169.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.326 -0.426 0 C-N-CA 123.827 0.851 . . . . 0.0 112.817 -166.157 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.274 2.8 t70 -178.01 153.05 0.78 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.366 1.866 . . . . 0.0 109.28 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -100.89 -25.85 13.95 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.132 2.573 . . . . 0.0 112.75 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 73.13 162.76 0.27 Allowed 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 130.03 3.332 . . . . 0.0 113.894 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -67.3 126.7 92.91 Favored Pre-proline 0 CA--C 1.542 0.639 0 O-C-N 121.555 -0.715 . . . . 0.0 112.261 -168.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -76.1 10.64 2.0 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.701 2.934 . . . . 0.0 113.953 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -138.88 155.97 47.67 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.839 1.256 . . . . 0.0 110.853 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 80.36 177.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.347 1.859 . . . . 0.0 115.091 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 N--CA 1.448 -0.53 0 C-N-CA 125.53 1.532 . . . . 0.0 110.209 -167.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 121.335 0.588 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.259 2.1 t70 -160.67 152.24 19.52 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.35 1.072 . . . . 0.0 111.429 -168.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -106.83 -24.52 12.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.69 2.396 . . . . 0.0 113.282 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 64.66 162.31 0.13 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 128.605 2.762 . . . . 0.0 114.987 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -161.65 143.52 8.7 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -75.46 20.63 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.579 3.519 . . . . 0.0 113.606 174.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -127.41 173.97 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 126.518 1.927 . . . . 0.0 111.792 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 68.31 172.86 0.28 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.86 1.264 . . . . 0.0 113.813 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 . . . . . 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.975 . . . . 0.0 111.0 -166.248 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.276 3.9 t70 -151.97 139.31 19.42 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.714 1.206 . . . . 0.0 109.107 172.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -90.91 -23.53 20.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 130.184 3.394 . . . . 0.0 112.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.261 2.8 mm? 80.43 159.09 0.16 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 131.596 3.958 . . . . 0.0 114.067 174.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -62.2 128.97 91.78 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.586 -167.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -79.22 20.56 0.82 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.609 2.873 . . . . 0.0 111.807 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.49 166.95 23.22 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.295 1.838 . . . . 0.0 111.387 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 66.31 72.15 0.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 123.318 1.532 . . . . 0.0 113.483 167.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 127.951 2.5 . . . . 0.0 111.241 174.009 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 121.554 0.693 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.273 2.8 t70 -171.93 149.72 2.48 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.502 1.921 . . . . 0.0 109.065 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -113.59 -27.59 7.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.439 2.296 . . . . 0.0 112.903 -172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 67.82 161.56 0.18 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.759 2.424 . . . . 0.0 114.831 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t 159.9 136.83 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 128.958 2.903 . . . . 0.0 112.291 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.35 10.79 2.88 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.588 2.859 . . . . 0.0 114.027 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -127.2 167.18 16.41 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.05 1.34 . . . . 0.0 113.034 -170.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 89.07 143.76 0.04 OUTLIER 'General case' 0 C--O 1.237 0.435 0 C-N-CA 128.599 2.76 . . . . 0.0 115.255 167.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 . . . . . 0 N--CA 1.445 -0.713 0 C-N-CA 127.532 2.333 . . . . 0.0 109.358 -168.309 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -150.28 145.33 26.12 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.433 2.293 . . . . 0.0 107.335 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -96.25 -26.58 15.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.128 2.571 . . . . 0.0 113.733 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 71.09 152.99 0.12 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.134 2.974 . . . . 0.0 115.162 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -168.94 117.54 0.59 Allowed Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.667 1.587 . . . . 0.0 111.213 165.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -78.45 24.56 0.56 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 124.512 3.474 . . . . 0.0 113.191 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -125.59 -160.54 0.97 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.033 . . . . 0.0 111.673 -168.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 79.76 162.15 0.18 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 124.348 2.023 . . . . 0.0 115.861 167.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 N--CA 1.44 -0.974 0 CA-C-N 112.234 -2.257 . . . . 0.0 107.839 -168.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.283 3.1 t70 -155.95 145.63 21.1 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 110.691 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -92.12 -32.53 15.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.546 2.739 . . . . 0.0 113.472 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 77.51 151.73 0.12 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 129.666 3.186 . . . . 0.0 114.455 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -175.52 94.9 0.27 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 127.067 2.147 . . . . 0.0 109.891 168.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -79.94 22.07 0.76 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.37 2.713 . . . . 0.0 111.81 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -111.01 163.59 13.68 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 111.367 -169.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.426 ' CG ' ' H ' ' A' ' 10' ' ' GLN . 7.2 t-80 75.23 -179.93 0.18 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.444 1.497 . . . . 0.0 114.445 168.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' A' ' 9' ' ' HIS . 25.6 pt20 . . . . . 0 N--CA 1.449 -0.499 0 C-N-CA 123.794 0.838 . . . . 0.0 112.214 -166.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 CA--C 1.545 0.763 0 CA-C-O 121.753 0.787 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.6 147.24 27.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.849 1.66 . . . . 0.0 108.341 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -86.64 -31.97 20.81 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.942 1.697 . . . . 0.0 113.206 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 61.96 158.94 0.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.318 2.247 . . . . 0.0 114.432 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -169.83 142.04 1.93 Allowed Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.917 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -84.95 21.48 1.09 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.648 2.898 . . . . 0.0 113.016 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -134.2 -172.7 3.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.467 1.507 . . . . 0.0 111.877 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 95.81 136.69 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.601 2.76 . . . . 0.0 117.267 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 128.516 2.727 . . . . 0.0 107.393 -167.478 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 121.112 0.482 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.265 4.2 t70 -145.64 148.0 32.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.791 1.236 . . . . 0.0 108.858 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -102.91 -29.61 11.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.439 2.696 . . . . 0.0 113.306 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 77.77 168.79 0.22 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 129.061 2.944 . . . . 0.0 115.282 170.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -75.82 130.92 77.52 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.382 -0.824 . . . . 0.0 112.51 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.23 7.48 4.05 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.729 2.953 . . . . 0.0 113.999 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -155.7 170.82 21.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 128.027 2.531 . . . . 0.0 110.316 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 88.2 134.65 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.547 2.339 . . . . 0.0 115.764 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 124.67 1.188 . . . . 0.0 114.054 -168.557 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -65.94 119.56 11.53 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 117.697 0.749 . . . . 0.0 111.92 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.255 3.3 t70 -173.6 140.63 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.903 2.081 . . . . 0.0 108.296 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -88.28 -33.37 18.07 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.79 2.436 . . . . 0.0 113.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 82.46 145.24 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 130.168 3.387 . . . . 0.0 114.418 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -172.0 145.4 1.6 Allowed Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 127.119 2.168 . . . . 0.0 109.318 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -88.06 8.44 4.13 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 123.37 2.713 . . . . 0.0 113.143 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -144.64 160.36 41.3 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.001 1.72 . . . . 0.0 112.493 -173.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 86.89 155.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.261 2.624 . . . . 0.0 115.655 165.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.79 135.53 20.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 126.245 1.818 . . . . 0.0 107.3 -177.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -80.95 74.37 7.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 122.116 0.96 . . . . 0.0 109.864 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -74.19 156.73 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 127.927 2.491 . . . . 0.0 108.913 173.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -62.71 -12.74 25.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.756 -1.215 . . . . 0.0 113.349 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -149.82 166.82 28.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.863 1.665 . . . . 0.0 111.551 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.85 140.42 40.44 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.462 1.505 . . . . 0.0 110.92 173.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -148.66 50.46 1.0 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.455 1.902 . . . . 0.0 110.892 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.99 -44.12 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.428 2.691 . . . . 0.0 111.101 -174.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 m -86.32 126.15 34.13 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.017 -1.052 . . . . 0.0 111.19 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 120.316 -1.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.775 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -159.82 138.17 10.38 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.525 1.13 . . . . 0.0 110.842 169.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.263 5.2 t70 -158.99 141.61 14.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.077 1.751 . . . . 0.0 108.928 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -82.52 -33.69 28.18 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.839 2.055 . . . . 0.0 114.208 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 68.8 149.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 129.152 2.981 . . . . 0.0 115.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -157.63 114.98 1.87 Allowed Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.955 167.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -83.82 28.67 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.464 3.443 . . . . 0.0 111.389 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 161.17 41.38 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.117 1.367 . . . . 0.0 113.494 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 81.06 154.86 0.13 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.68 2.392 . . . . 0.0 112.814 169.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -129.38 167.8 17.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.827 0.851 . . . . 0.0 112.817 -166.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -129.9 102.91 6.5 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.741 1.217 . . . . 0.0 110.834 -172.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -165.84 131.12 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 127.056 2.143 . . . . 0.0 108.671 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -90.42 117.75 29.36 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -171.12 164.57 7.39 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -168.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 52.13 -141.19 0.84 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.37 1.468 . . . . 0.0 112.692 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -94.74 -9.77 33.68 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.64 -12.19 0.34 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -169.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.4 m -99.99 137.75 38.01 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.409 1.004 . . . . 0.0 113.064 -168.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 120.806 -1.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.934 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 p -163.81 127.55 2.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.937 0.868 . . . . 0.0 112.851 -169.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.274 2.8 t70 -178.01 153.05 0.78 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.366 1.866 . . . . 0.0 109.28 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -100.89 -25.85 13.95 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.132 2.573 . . . . 0.0 112.75 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 73.13 162.76 0.27 Allowed 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 130.03 3.332 . . . . 0.0 113.894 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -67.3 126.7 92.91 Favored Pre-proline 0 CA--C 1.542 0.639 0 O-C-N 121.555 -0.715 . . . . 0.0 112.261 -168.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -76.1 10.64 2.0 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.701 2.934 . . . . 0.0 113.953 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -138.88 155.97 47.67 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.839 1.256 . . . . 0.0 110.853 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 80.36 177.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.347 1.859 . . . . 0.0 115.091 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -172.69 151.21 2.28 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.53 1.532 . . . . 0.0 110.209 -167.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -98.28 104.07 16.07 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.803 0.841 . . . . 0.0 109.78 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -70.68 147.1 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -70.1 -12.68 61.78 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.022 0.929 . . . . 0.0 113.499 -169.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.14 159.5 23.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.293 1.037 . . . . 0.0 111.648 167.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.25 140.73 51.66 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.183 1.793 . . . . 0.0 109.259 168.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -165.53 18.44 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.333 1.453 . . . . 0.0 114.478 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.49 -28.0 0.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 -164.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -170.33 -25.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.897 2.079 . . . . 0.0 113.255 -175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 O-C-N 120.173 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.813 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -72.4 104.84 3.89 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.335 0.588 . . . . 0.0 111.849 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.259 2.1 t70 -160.67 152.24 19.52 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.35 1.072 . . . . 0.0 111.429 -168.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -106.83 -24.52 12.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.69 2.396 . . . . 0.0 113.282 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 64.66 162.31 0.13 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 128.605 2.762 . . . . 0.0 114.987 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -161.65 143.52 8.7 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -75.46 20.63 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.579 3.519 . . . . 0.0 113.606 174.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -127.41 173.97 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 126.518 1.927 . . . . 0.0 111.792 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 68.31 172.86 0.28 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.86 1.264 . . . . 0.0 113.813 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -153.04 174.14 14.55 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.975 . . . . 0.0 111.0 -166.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -105.64 145.86 30.47 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.756 0.823 . . . . 0.0 110.665 169.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 t 69.19 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 128.334 2.654 . . . . 0.0 108.872 -168.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -100.18 -15.71 18.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.805 1.642 . . . . 0.0 112.157 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -129.86 140.11 51.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.393 1.077 . . . . 0.0 111.9 -172.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 58.52 11.38 1.69 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.4 1.88 . . . . 0.0 115.25 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -60.98 -27.46 68.3 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.379 -1.45 . . . . 0.0 113.702 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.66 -39.93 3.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.949 1.7 . . . . 0.0 111.239 168.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.9 p -88.63 9.29 24.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.904 2.082 . . . . 0.0 114.588 -169.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 O-C-N 119.49 -2.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.052 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -74.04 167.34 21.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -173.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.276 3.9 t70 -151.97 139.31 19.42 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.714 1.206 . . . . 0.0 109.107 172.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -90.91 -23.53 20.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 130.184 3.394 . . . . 0.0 112.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.261 2.8 mm? 80.43 159.09 0.16 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 131.596 3.958 . . . . 0.0 114.067 174.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -62.2 128.97 91.78 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.586 -167.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -79.22 20.56 0.82 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.609 2.873 . . . . 0.0 111.807 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.49 166.95 23.22 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.295 1.838 . . . . 0.0 111.387 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 66.31 72.15 0.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 123.318 1.532 . . . . 0.0 113.483 167.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 81.45 8.21 1.05 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.951 2.5 . . . . 0.0 111.241 174.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -63.57 103.41 0.53 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.618 2.367 . . . . 0.0 112.0 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.87 154.35 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.936 1.294 . . . . 0.0 112.221 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -155.3 -21.0 0.11 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.002 1.721 . . . . 0.0 113.167 171.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -150.51 110.81 4.18 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.549 1.14 . . . . 0.0 110.257 -176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -127.04 -7.79 5.99 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.319 1.848 . . . . 0.0 113.165 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -125.37 -169.94 2.08 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.291 2.236 . . . . 0.0 110.43 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -51.75 138.1 24.26 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.851 1.261 . . . . 0.0 113.274 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.3 m -172.11 170.25 5.3 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.65 2.38 . . . . 0.0 110.295 -170.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 120.571 -1.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.894 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m -115.5 130.42 56.87 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 124.604 1.162 . . . . 0.0 111.749 -175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.273 2.8 t70 -171.93 149.72 2.48 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.502 1.921 . . . . 0.0 109.065 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -113.59 -27.59 7.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.439 2.296 . . . . 0.0 112.903 -172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 67.82 161.56 0.18 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.759 2.424 . . . . 0.0 114.831 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t 159.9 136.83 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 128.958 2.903 . . . . 0.0 112.291 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.35 10.79 2.88 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.588 2.859 . . . . 0.0 114.027 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -127.2 167.18 16.41 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.05 1.34 . . . . 0.0 113.034 -170.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 89.07 143.76 0.04 OUTLIER 'General case' 0 C--O 1.237 0.435 0 C-N-CA 128.599 2.76 . . . . 0.0 115.255 167.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -132.43 132.75 43.1 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 127.532 2.333 . . . . 0.0 109.358 -168.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -63.3 146.62 53.08 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.629 -0.669 . . . . 0.0 109.208 168.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.2 107.21 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.339 0.656 . . . . 0.0 109.826 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -146.52 24.11 1.25 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.53 1.132 . . . . 0.0 111.502 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.28 174.35 0.34 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 128.388 2.675 . . . . 0.0 108.667 -168.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -149.83 -41.03 0.14 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.308 1.443 . . . . 0.0 111.569 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -165.98 113.36 0.91 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.1 1.76 . . . . 0.0 109.899 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -71.11 147.59 48.29 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.858 1.263 . . . . 0.0 110.082 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.9 m -92.77 -10.56 36.52 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 119.948 -1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.608 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m -54.59 127.73 29.19 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -173.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -150.28 145.33 26.12 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.433 2.293 . . . . 0.0 107.335 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -96.25 -26.58 15.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.128 2.571 . . . . 0.0 113.733 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 71.09 152.99 0.12 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.134 2.974 . . . . 0.0 115.162 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -168.94 117.54 0.59 Allowed Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.667 1.587 . . . . 0.0 111.213 165.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -78.45 24.56 0.56 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 124.512 3.474 . . . . 0.0 113.191 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -125.59 -160.54 0.97 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.033 . . . . 0.0 111.673 -168.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 79.76 162.15 0.18 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 124.348 2.023 . . . . 0.0 115.861 167.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -81.04 89.11 5.93 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 112.234 -2.257 . . . . 0.0 107.839 -168.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -81.34 139.79 35.15 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.976 0.511 . . . . 0.0 110.649 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -171.25 129.42 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 128.233 2.613 . . . . 0.0 107.151 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.61 -1.01 2.1 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -168.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.45 164.03 13.62 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.246 0.93 . . . . 0.0 111.517 173.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? 74.49 12.72 3.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.657 1.983 . . . . 0.0 113.627 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.51 -1.79 46.5 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.419 1.488 . . . . 0.0 113.658 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.9 -56.37 3.73 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.438 1.095 . . . . 0.0 110.054 -171.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.3 m -133.39 -7.88 2.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.908 1.283 . . . . 0.0 112.645 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 O-C-N 119.925 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.088 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -162.33 -179.02 6.68 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.624 1.57 . . . . 0.0 112.545 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.283 3.1 t70 -155.95 145.63 21.1 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 110.691 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -92.12 -32.53 15.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.546 2.739 . . . . 0.0 113.472 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 77.51 151.73 0.12 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 129.666 3.186 . . . . 0.0 114.455 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -175.52 94.9 0.27 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 127.067 2.147 . . . . 0.0 109.891 168.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -79.94 22.07 0.76 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.37 2.713 . . . . 0.0 111.81 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -111.01 163.59 13.68 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 111.367 -169.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.426 ' CG ' ' H ' ' A' ' 10' ' ' GLN . 7.2 t-80 75.23 -179.93 0.18 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.444 1.497 . . . . 0.0 114.445 168.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' A' ' 9' ' ' HIS . 25.6 pt20 -158.21 157.78 33.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.794 0.838 . . . . 0.0 112.214 -166.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -84.78 109.33 17.99 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 105.299 -2.112 . . . . 0.0 105.299 165.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.36 129.74 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -154.86 38.54 0.42 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.153 0.501 . . . . 0.0 112.294 -167.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -56.06 -34.78 66.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.796 1.238 . . . . 0.0 110.914 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -138.38 170.1 16.61 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.51 1.924 . . . . 0.0 109.251 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -79.56 126.12 30.47 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.909 -1.119 . . . . 0.0 110.758 169.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -68.41 137.96 54.93 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.6 p -91.82 -6.4 51.74 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.271 1.028 . . . . 0.0 112.417 170.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.91 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -75.45 179.41 5.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.382 1.073 . . . . 0.0 112.213 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.6 147.24 27.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.849 1.66 . . . . 0.0 108.341 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -86.64 -31.97 20.81 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.942 1.697 . . . . 0.0 113.206 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 61.96 158.94 0.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.318 2.247 . . . . 0.0 114.432 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -169.83 142.04 1.93 Allowed Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.917 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -84.95 21.48 1.09 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.648 2.898 . . . . 0.0 113.016 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -134.2 -172.7 3.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.467 1.507 . . . . 0.0 111.877 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 95.81 136.69 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.601 2.76 . . . . 0.0 117.267 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 171.32 172.33 0.08 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 128.516 2.727 . . . . 0.0 107.393 -167.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 117.81 10.46 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.523 -0.736 . . . . 0.0 109.24 171.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p 170.28 139.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 129.38 3.072 . . . . 0.0 108.979 -172.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -62.69 135.57 57.43 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.932 0.872 . . . . 0.0 110.642 170.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -69.22 144.43 53.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.483 1.113 . . . . 0.0 113.465 -170.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? 73.09 -23.47 0.21 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 128.161 2.584 . . . . 0.0 115.897 171.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.68 -29.32 67.99 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.029 1.741 . . . . 0.0 114.065 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.81 -4.02 0.09 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 168.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.4 p -156.46 -151.83 0.35 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.4 1.88 . . . . 0.0 109.189 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 119.36 -2.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.659 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -150.82 141.38 22.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.599 -0.941 . . . . 0.0 111.436 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.265 4.2 t70 -145.64 148.0 32.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.791 1.236 . . . . 0.0 108.858 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -102.91 -29.61 11.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.439 2.696 . . . . 0.0 113.306 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 77.77 168.79 0.22 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 129.061 2.944 . . . . 0.0 115.282 170.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -75.82 130.92 77.52 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.382 -0.824 . . . . 0.0 112.51 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.23 7.48 4.05 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.729 2.953 . . . . 0.0 113.999 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -155.7 170.82 21.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 128.027 2.531 . . . . 0.0 110.316 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 88.2 134.65 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.547 2.339 . . . . 0.0 115.764 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -154.48 -13.23 0.13 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.67 1.188 . . . . 0.0 114.054 -168.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -79.58 123.8 27.94 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.308 1.413 . . . . 0.0 112.131 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -49.31 145.52 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.27 2.228 . . . . 0.0 113.11 169.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -66.5 102.62 0.91 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.622 1.169 . . . . 0.0 112.811 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 161.62 176.85 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 129.923 3.289 . . . . 0.0 109.87 -170.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -132.46 128.65 37.9 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.931 1.292 . . . . 0.0 109.422 169.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -153.59 -1.23 0.22 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -175.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.09 175.86 9.23 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.456 -0.777 . . . . 0.0 110.097 168.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.5 m -65.46 -25.59 67.57 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -174.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 O-C-N 119.93 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 121.271 0.558 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.255 3.3 t70 -173.6 140.63 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.903 2.081 . . . . 0.0 108.296 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -88.28 -33.37 18.07 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.79 2.436 . . . . 0.0 113.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 82.46 145.24 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 130.168 3.387 . . . . 0.0 114.418 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -172.0 145.4 1.6 Allowed Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 127.119 2.168 . . . . 0.0 109.318 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -88.06 8.44 4.13 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 123.37 2.713 . . . . 0.0 113.143 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -144.64 160.36 41.3 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.001 1.72 . . . . 0.0 112.493 -173.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 86.89 155.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.261 2.624 . . . . 0.0 115.655 165.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 126.245 1.818 . . . . 0.0 107.3 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 121.069 0.462 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.263 5.2 t70 -158.99 141.61 14.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.077 1.751 . . . . 0.0 108.928 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -82.52 -33.69 28.18 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.839 2.055 . . . . 0.0 114.208 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 68.8 149.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 129.152 2.981 . . . . 0.0 115.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -157.63 114.98 1.87 Allowed Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.955 167.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -83.82 28.67 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.464 3.443 . . . . 0.0 111.389 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 161.17 41.38 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.117 1.367 . . . . 0.0 113.494 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 81.06 154.86 0.13 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.68 2.392 . . . . 0.0 112.814 169.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.326 -0.426 0 C-N-CA 123.827 0.851 . . . . 0.0 112.817 -166.157 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.274 2.8 t70 -178.01 153.05 0.78 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.366 1.866 . . . . 0.0 109.28 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -100.89 -25.85 13.95 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.132 2.573 . . . . 0.0 112.75 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 5' ' ' LEU . 2.9 mm? 73.13 162.76 0.27 Allowed 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 130.03 3.332 . . . . 0.0 113.894 174.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -67.3 126.7 92.91 Favored Pre-proline 0 CA--C 1.542 0.639 0 O-C-N 121.555 -0.715 . . . . 0.0 112.261 -168.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -76.1 10.64 2.0 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.701 2.934 . . . . 0.0 113.953 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -138.88 155.97 47.67 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.839 1.256 . . . . 0.0 110.853 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 80.36 177.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.347 1.859 . . . . 0.0 115.091 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 N--CA 1.448 -0.53 0 C-N-CA 125.53 1.532 . . . . 0.0 110.209 -167.896 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 121.335 0.588 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.259 2.1 t70 -160.67 152.24 19.52 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.35 1.072 . . . . 0.0 111.429 -168.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -106.83 -24.52 12.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.69 2.396 . . . . 0.0 113.282 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 64.66 162.31 0.13 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 128.605 2.762 . . . . 0.0 114.987 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -161.65 143.52 8.7 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -75.46 20.63 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.579 3.519 . . . . 0.0 113.606 174.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -127.41 173.97 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 126.518 1.927 . . . . 0.0 111.792 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 68.31 172.86 0.28 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.86 1.264 . . . . 0.0 113.813 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 . . . . . 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.975 . . . . 0.0 111.0 -166.248 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.276 3.9 t70 -151.97 139.31 19.42 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.714 1.206 . . . . 0.0 109.107 172.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -90.91 -23.53 20.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 130.184 3.394 . . . . 0.0 112.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.261 2.8 mm? 80.43 159.09 0.16 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 131.596 3.958 . . . . 0.0 114.067 174.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -62.2 128.97 91.78 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.586 -167.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -79.22 20.56 0.82 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.609 2.873 . . . . 0.0 111.807 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.49 166.95 23.22 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.295 1.838 . . . . 0.0 111.387 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 66.31 72.15 0.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 123.318 1.532 . . . . 0.0 113.483 167.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 127.951 2.5 . . . . 0.0 111.241 174.009 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 121.554 0.693 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.273 2.8 t70 -171.93 149.72 2.48 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.502 1.921 . . . . 0.0 109.065 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -113.59 -27.59 7.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.439 2.296 . . . . 0.0 112.903 -172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 67.82 161.56 0.18 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.759 2.424 . . . . 0.0 114.831 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t 159.9 136.83 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 128.958 2.903 . . . . 0.0 112.291 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.35 10.79 2.88 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.588 2.859 . . . . 0.0 114.027 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -127.2 167.18 16.41 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.05 1.34 . . . . 0.0 113.034 -170.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 89.07 143.76 0.04 OUTLIER 'General case' 0 C--O 1.237 0.435 0 C-N-CA 128.599 2.76 . . . . 0.0 115.255 167.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 . . . . . 0 N--CA 1.445 -0.713 0 C-N-CA 127.532 2.333 . . . . 0.0 109.358 -168.309 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -150.28 145.33 26.12 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.433 2.293 . . . . 0.0 107.335 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -96.25 -26.58 15.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.128 2.571 . . . . 0.0 113.733 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 71.09 152.99 0.12 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.134 2.974 . . . . 0.0 115.162 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -168.94 117.54 0.59 Allowed Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.667 1.587 . . . . 0.0 111.213 165.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -78.45 24.56 0.56 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 124.512 3.474 . . . . 0.0 113.191 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -125.59 -160.54 0.97 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.033 . . . . 0.0 111.673 -168.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 79.76 162.15 0.18 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 124.348 2.023 . . . . 0.0 115.861 167.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 N--CA 1.44 -0.974 0 CA-C-N 112.234 -2.257 . . . . 0.0 107.839 -168.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.283 3.1 t70 -155.95 145.63 21.1 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 110.691 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -92.12 -32.53 15.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.546 2.739 . . . . 0.0 113.472 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 77.51 151.73 0.12 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 129.666 3.186 . . . . 0.0 114.455 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -175.52 94.9 0.27 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 127.067 2.147 . . . . 0.0 109.891 168.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -79.94 22.07 0.76 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.37 2.713 . . . . 0.0 111.81 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -111.01 163.59 13.68 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 111.367 -169.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 75.23 -179.93 0.18 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.444 1.497 . . . . 0.0 114.445 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 . . . . . 0 N--CA 1.449 -0.499 0 C-N-CA 123.794 0.838 . . . . 0.0 112.214 -166.346 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 CA--C 1.545 0.763 0 CA-C-O 121.753 0.787 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.6 147.24 27.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.849 1.66 . . . . 0.0 108.341 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -86.64 -31.97 20.81 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.942 1.697 . . . . 0.0 113.206 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 61.96 158.94 0.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.318 2.247 . . . . 0.0 114.432 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -169.83 142.04 1.93 Allowed Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.917 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -84.95 21.48 1.09 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.648 2.898 . . . . 0.0 113.016 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -134.2 -172.7 3.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.467 1.507 . . . . 0.0 111.877 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 95.81 136.69 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.601 2.76 . . . . 0.0 117.267 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 128.516 2.727 . . . . 0.0 107.393 -167.478 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 121.112 0.482 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.265 4.2 t70 -145.64 148.0 32.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.791 1.236 . . . . 0.0 108.858 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -102.91 -29.61 11.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.439 2.696 . . . . 0.0 113.306 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 77.77 168.79 0.22 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 129.061 2.944 . . . . 0.0 115.282 170.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -75.82 130.92 77.52 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.382 -0.824 . . . . 0.0 112.51 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.23 7.48 4.05 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.729 2.953 . . . . 0.0 113.999 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -155.7 170.82 21.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 128.027 2.531 . . . . 0.0 110.316 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 88.2 134.65 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.547 2.339 . . . . 0.0 115.764 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 124.67 1.188 . . . . 0.0 114.054 -168.557 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -65.94 119.56 11.53 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 117.697 0.749 . . . . 0.0 111.92 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.255 3.3 t70 -173.6 140.63 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.903 2.081 . . . . 0.0 108.296 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -88.28 -33.37 18.07 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.79 2.436 . . . . 0.0 113.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 82.46 145.24 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 130.168 3.387 . . . . 0.0 114.418 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -172.0 145.4 1.6 Allowed Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 127.119 2.168 . . . . 0.0 109.318 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -88.06 8.44 4.13 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 123.37 2.713 . . . . 0.0 113.143 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -144.64 160.36 41.3 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.001 1.72 . . . . 0.0 112.493 -173.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 86.89 155.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.261 2.624 . . . . 0.0 115.655 165.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.79 135.53 20.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 126.245 1.818 . . . . 0.0 107.3 -177.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -80.95 74.37 7.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 122.116 0.96 . . . . 0.0 109.864 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -74.19 156.73 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 127.927 2.491 . . . . 0.0 108.913 173.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -62.71 -12.74 25.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.756 -1.215 . . . . 0.0 113.349 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -149.82 166.82 28.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.863 1.665 . . . . 0.0 111.551 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.85 140.42 40.44 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.462 1.505 . . . . 0.0 110.92 173.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -148.66 50.46 1.0 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.455 1.902 . . . . 0.0 110.892 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.99 -44.12 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.428 2.691 . . . . 0.0 111.101 -174.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 m -86.32 126.15 34.13 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.017 -1.052 . . . . 0.0 111.19 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 120.316 -1.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.775 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -159.82 138.17 10.38 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.525 1.13 . . . . 0.0 110.842 169.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.263 5.2 t70 -158.99 141.61 14.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.077 1.751 . . . . 0.0 108.928 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -82.52 -33.69 28.18 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.839 2.055 . . . . 0.0 114.208 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 68.8 149.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 129.152 2.981 . . . . 0.0 115.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -157.63 114.98 1.87 Allowed Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.955 167.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -83.82 28.67 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.464 3.443 . . . . 0.0 111.389 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 161.17 41.38 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.117 1.367 . . . . 0.0 113.494 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 81.06 154.86 0.13 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.68 2.392 . . . . 0.0 112.814 169.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -129.38 167.8 17.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.827 0.851 . . . . 0.0 112.817 -166.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -129.9 102.91 6.5 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.741 1.217 . . . . 0.0 110.834 -172.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -165.84 131.12 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 127.056 2.143 . . . . 0.0 108.671 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -90.42 117.75 29.36 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -171.12 164.57 7.39 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -168.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 52.13 -141.19 0.84 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.37 1.468 . . . . 0.0 112.692 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -94.74 -9.77 33.68 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.64 -12.19 0.34 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -169.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.4 m -99.99 137.75 38.01 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.409 1.004 . . . . 0.0 113.064 -168.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 120.806 -1.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.934 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 p -163.81 127.55 2.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.937 0.868 . . . . 0.0 112.851 -169.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.274 2.8 t70 -178.01 153.05 0.78 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.366 1.866 . . . . 0.0 109.28 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -100.89 -25.85 13.95 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.132 2.573 . . . . 0.0 112.75 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 5' ' ' LEU . 2.9 mm? 73.13 162.76 0.27 Allowed 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 130.03 3.332 . . . . 0.0 113.894 174.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -67.3 126.7 92.91 Favored Pre-proline 0 CA--C 1.542 0.639 0 O-C-N 121.555 -0.715 . . . . 0.0 112.261 -168.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -76.1 10.64 2.0 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.701 2.934 . . . . 0.0 113.953 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -138.88 155.97 47.67 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.839 1.256 . . . . 0.0 110.853 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 80.36 177.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.347 1.859 . . . . 0.0 115.091 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -172.69 151.21 2.28 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.53 1.532 . . . . 0.0 110.209 -167.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -98.28 104.07 16.07 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.803 0.841 . . . . 0.0 109.78 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -70.68 147.1 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -70.1 -12.68 61.78 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.022 0.929 . . . . 0.0 113.499 -169.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.14 159.5 23.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.293 1.037 . . . . 0.0 111.648 167.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.25 140.73 51.66 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.183 1.793 . . . . 0.0 109.259 168.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -165.53 18.44 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.333 1.453 . . . . 0.0 114.478 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.49 -28.0 0.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 -164.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -170.33 -25.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.897 2.079 . . . . 0.0 113.255 -175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 O-C-N 120.173 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.813 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -72.4 104.84 3.89 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.335 0.588 . . . . 0.0 111.849 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.259 2.1 t70 -160.67 152.24 19.52 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.35 1.072 . . . . 0.0 111.429 -168.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -106.83 -24.52 12.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.69 2.396 . . . . 0.0 113.282 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 64.66 162.31 0.13 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 128.605 2.762 . . . . 0.0 114.987 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -161.65 143.52 8.7 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -75.46 20.63 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.579 3.519 . . . . 0.0 113.606 174.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -127.41 173.97 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 126.518 1.927 . . . . 0.0 111.792 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 68.31 172.86 0.28 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.86 1.264 . . . . 0.0 113.813 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -153.04 174.14 14.55 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.975 . . . . 0.0 111.0 -166.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -105.64 145.86 30.47 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.756 0.823 . . . . 0.0 110.665 169.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 t 69.19 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 128.334 2.654 . . . . 0.0 108.872 -168.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -100.18 -15.71 18.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.805 1.642 . . . . 0.0 112.157 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -129.86 140.11 51.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.393 1.077 . . . . 0.0 111.9 -172.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 58.52 11.38 1.69 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.4 1.88 . . . . 0.0 115.25 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -60.98 -27.46 68.3 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.379 -1.45 . . . . 0.0 113.702 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.66 -39.93 3.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.949 1.7 . . . . 0.0 111.239 168.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.9 p -88.63 9.29 24.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.904 2.082 . . . . 0.0 114.588 -169.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 O-C-N 119.49 -2.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.052 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -74.04 167.34 21.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -173.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.276 3.9 t70 -151.97 139.31 19.42 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.714 1.206 . . . . 0.0 109.107 172.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -90.91 -23.53 20.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 130.184 3.394 . . . . 0.0 112.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.261 2.8 mm? 80.43 159.09 0.16 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 131.596 3.958 . . . . 0.0 114.067 174.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -62.2 128.97 91.78 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.586 -167.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -79.22 20.56 0.82 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.609 2.873 . . . . 0.0 111.807 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.49 166.95 23.22 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.295 1.838 . . . . 0.0 111.387 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 66.31 72.15 0.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 123.318 1.532 . . . . 0.0 113.483 167.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 81.45 8.21 1.05 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.951 2.5 . . . . 0.0 111.241 174.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -63.57 103.41 0.53 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.618 2.367 . . . . 0.0 112.0 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.87 154.35 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.936 1.294 . . . . 0.0 112.221 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -155.3 -21.0 0.11 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.002 1.721 . . . . 0.0 113.167 171.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -150.51 110.81 4.18 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.549 1.14 . . . . 0.0 110.257 -176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -127.04 -7.79 5.99 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.319 1.848 . . . . 0.0 113.165 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -125.37 -169.94 2.08 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.291 2.236 . . . . 0.0 110.43 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -51.75 138.1 24.26 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.851 1.261 . . . . 0.0 113.274 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.3 m -172.11 170.25 5.3 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.65 2.38 . . . . 0.0 110.295 -170.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 120.571 -1.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.894 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m -115.5 130.42 56.87 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 124.604 1.162 . . . . 0.0 111.749 -175.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.273 2.8 t70 -171.93 149.72 2.48 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.502 1.921 . . . . 0.0 109.065 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -113.59 -27.59 7.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.439 2.296 . . . . 0.0 112.903 -172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 67.82 161.56 0.18 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.759 2.424 . . . . 0.0 114.831 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t 159.9 136.83 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 128.958 2.903 . . . . 0.0 112.291 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.35 10.79 2.88 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.588 2.859 . . . . 0.0 114.027 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -127.2 167.18 16.41 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.05 1.34 . . . . 0.0 113.034 -170.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 89.07 143.76 0.04 OUTLIER 'General case' 0 C--O 1.237 0.435 0 C-N-CA 128.599 2.76 . . . . 0.0 115.255 167.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -132.43 132.75 43.1 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 127.532 2.333 . . . . 0.0 109.358 -168.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -63.3 146.62 53.08 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.629 -0.669 . . . . 0.0 109.208 168.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.2 107.21 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.339 0.656 . . . . 0.0 109.826 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -146.52 24.11 1.25 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.53 1.132 . . . . 0.0 111.502 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.28 174.35 0.34 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 128.388 2.675 . . . . 0.0 108.667 -168.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -149.83 -41.03 0.14 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.308 1.443 . . . . 0.0 111.569 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -165.98 113.36 0.91 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.1 1.76 . . . . 0.0 109.899 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -71.11 147.59 48.29 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.858 1.263 . . . . 0.0 110.082 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.9 m -92.77 -10.56 36.52 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 119.948 -1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.608 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m -54.59 127.73 29.19 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -173.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -150.28 145.33 26.12 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.433 2.293 . . . . 0.0 107.335 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -96.25 -26.58 15.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.128 2.571 . . . . 0.0 113.733 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 71.09 152.99 0.12 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.134 2.974 . . . . 0.0 115.162 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -168.94 117.54 0.59 Allowed Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.667 1.587 . . . . 0.0 111.213 165.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -78.45 24.56 0.56 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 124.512 3.474 . . . . 0.0 113.191 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -125.59 -160.54 0.97 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.033 . . . . 0.0 111.673 -168.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 79.76 162.15 0.18 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 124.348 2.023 . . . . 0.0 115.861 167.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -81.04 89.11 5.93 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 112.234 -2.257 . . . . 0.0 107.839 -168.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -81.34 139.79 35.15 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.976 0.511 . . . . 0.0 110.649 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -171.25 129.42 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 128.233 2.613 . . . . 0.0 107.151 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.61 -1.01 2.1 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -168.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.45 164.03 13.62 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.246 0.93 . . . . 0.0 111.517 173.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? 74.49 12.72 3.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.657 1.983 . . . . 0.0 113.627 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.51 -1.79 46.5 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.419 1.488 . . . . 0.0 113.658 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.9 -56.37 3.73 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.438 1.095 . . . . 0.0 110.054 -171.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.3 m -133.39 -7.88 2.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.908 1.283 . . . . 0.0 112.645 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 O-C-N 119.925 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.088 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -162.33 -179.02 6.68 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.624 1.57 . . . . 0.0 112.545 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.283 3.1 t70 -155.95 145.63 21.1 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 110.691 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -92.12 -32.53 15.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.546 2.739 . . . . 0.0 113.472 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 77.51 151.73 0.12 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 129.666 3.186 . . . . 0.0 114.455 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -175.52 94.9 0.27 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 127.067 2.147 . . . . 0.0 109.891 168.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -79.94 22.07 0.76 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.37 2.713 . . . . 0.0 111.81 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -111.01 163.59 13.68 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 111.367 -169.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 75.23 -179.93 0.18 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.444 1.497 . . . . 0.0 114.445 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -158.21 157.78 33.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.794 0.838 . . . . 0.0 112.214 -166.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -84.78 109.33 17.99 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 105.299 -2.112 . . . . 0.0 105.299 165.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.36 129.74 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -154.86 38.54 0.42 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.153 0.501 . . . . 0.0 112.294 -167.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -56.06 -34.78 66.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.796 1.238 . . . . 0.0 110.914 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -138.38 170.1 16.61 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.51 1.924 . . . . 0.0 109.251 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -79.56 126.12 30.47 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.909 -1.119 . . . . 0.0 110.758 169.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -68.41 137.96 54.93 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.6 p -91.82 -6.4 51.74 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.271 1.028 . . . . 0.0 112.417 170.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.91 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -75.45 179.41 5.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.382 1.073 . . . . 0.0 112.213 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.6 147.24 27.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.849 1.66 . . . . 0.0 108.341 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -86.64 -31.97 20.81 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.942 1.697 . . . . 0.0 113.206 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 61.96 158.94 0.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.318 2.247 . . . . 0.0 114.432 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -169.83 142.04 1.93 Allowed Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.917 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -84.95 21.48 1.09 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.648 2.898 . . . . 0.0 113.016 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -134.2 -172.7 3.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.467 1.507 . . . . 0.0 111.877 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 95.81 136.69 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.601 2.76 . . . . 0.0 117.267 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 171.32 172.33 0.08 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 128.516 2.727 . . . . 0.0 107.393 -167.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 117.81 10.46 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.523 -0.736 . . . . 0.0 109.24 171.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p 170.28 139.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 129.38 3.072 . . . . 0.0 108.979 -172.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -62.69 135.57 57.43 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.932 0.872 . . . . 0.0 110.642 170.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -69.22 144.43 53.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.483 1.113 . . . . 0.0 113.465 -170.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? 73.09 -23.47 0.21 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 128.161 2.584 . . . . 0.0 115.897 171.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.68 -29.32 67.99 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.029 1.741 . . . . 0.0 114.065 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.81 -4.02 0.09 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 168.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.4 p -156.46 -151.83 0.35 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.4 1.88 . . . . 0.0 109.189 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 119.36 -2.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.659 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -150.82 141.38 22.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.599 -0.941 . . . . 0.0 111.436 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.265 4.2 t70 -145.64 148.0 32.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.791 1.236 . . . . 0.0 108.858 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -102.91 -29.61 11.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.439 2.696 . . . . 0.0 113.306 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 77.77 168.79 0.22 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 129.061 2.944 . . . . 0.0 115.282 170.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -75.82 130.92 77.52 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.382 -0.824 . . . . 0.0 112.51 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.23 7.48 4.05 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.729 2.953 . . . . 0.0 113.999 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -155.7 170.82 21.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 128.027 2.531 . . . . 0.0 110.316 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 88.2 134.65 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.547 2.339 . . . . 0.0 115.764 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -154.48 -13.23 0.13 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.67 1.188 . . . . 0.0 114.054 -168.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -79.58 123.8 27.94 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.308 1.413 . . . . 0.0 112.131 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -49.31 145.52 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.27 2.228 . . . . 0.0 113.11 169.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -66.5 102.62 0.91 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.622 1.169 . . . . 0.0 112.811 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 161.62 176.85 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 129.923 3.289 . . . . 0.0 109.87 -170.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -132.46 128.65 37.9 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.931 1.292 . . . . 0.0 109.422 169.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -153.59 -1.23 0.22 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -175.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -77.09 175.86 9.23 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.456 -0.777 . . . . 0.0 110.097 168.383 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.5 m -65.46 -25.59 67.57 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -174.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 O-C-N 119.93 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 121.271 0.558 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.255 3.3 t70 -173.6 140.63 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.903 2.081 . . . . 0.0 108.296 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -88.28 -33.37 18.07 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.79 2.436 . . . . 0.0 113.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 82.46 145.24 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 130.168 3.387 . . . . 0.0 114.418 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -172.0 145.4 1.6 Allowed Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 127.119 2.168 . . . . 0.0 109.318 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -88.06 8.44 4.13 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 123.37 2.713 . . . . 0.0 113.143 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -144.64 160.36 41.3 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.001 1.72 . . . . 0.0 112.493 -173.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 86.89 155.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.261 2.624 . . . . 0.0 115.655 165.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 126.245 1.818 . . . . 0.0 107.3 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 121.069 0.462 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.263 5.2 t70 -158.99 141.61 14.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.077 1.751 . . . . 0.0 108.928 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -82.52 -33.69 28.18 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.839 2.055 . . . . 0.0 114.208 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 68.8 149.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 129.152 2.981 . . . . 0.0 115.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -157.63 114.98 1.87 Allowed Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.955 167.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -83.82 28.67 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.464 3.443 . . . . 0.0 111.389 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 161.17 41.38 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.117 1.367 . . . . 0.0 113.494 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 81.06 154.86 0.13 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.68 2.392 . . . . 0.0 112.814 169.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.326 -0.426 0 C-N-CA 123.827 0.851 . . . . 0.0 112.817 -166.157 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.274 2.8 t70 -178.01 153.05 0.78 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.366 1.866 . . . . 0.0 109.28 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -100.89 -25.85 13.95 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.132 2.573 . . . . 0.0 112.75 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 5' ' ' LEU . 2.9 mm? 73.13 162.76 0.27 Allowed 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 130.03 3.332 . . . . 0.0 113.894 174.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -67.3 126.7 92.91 Favored Pre-proline 0 CA--C 1.542 0.639 0 O-C-N 121.555 -0.715 . . . . 0.0 112.261 -168.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -76.1 10.64 2.0 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.701 2.934 . . . . 0.0 113.953 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -138.88 155.97 47.67 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.839 1.256 . . . . 0.0 110.853 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 80.36 177.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.347 1.859 . . . . 0.0 115.091 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 N--CA 1.448 -0.53 0 C-N-CA 125.53 1.532 . . . . 0.0 110.209 -167.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 121.335 0.588 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.259 2.1 t70 -160.67 152.24 19.52 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.35 1.072 . . . . 0.0 111.429 -168.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -106.83 -24.52 12.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.69 2.396 . . . . 0.0 113.282 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 64.66 162.31 0.13 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 128.605 2.762 . . . . 0.0 114.987 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -161.65 143.52 8.7 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -75.46 20.63 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.579 3.519 . . . . 0.0 113.606 174.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -127.41 173.97 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 126.518 1.927 . . . . 0.0 111.792 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 68.31 172.86 0.28 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.86 1.264 . . . . 0.0 113.813 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 . . . . . 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.975 . . . . 0.0 111.0 -166.248 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.276 3.9 t70 -151.97 139.31 19.42 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.714 1.206 . . . . 0.0 109.107 172.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -90.91 -23.53 20.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 130.184 3.394 . . . . 0.0 112.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.261 2.8 mm? 80.43 159.09 0.16 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 131.596 3.958 . . . . 0.0 114.067 174.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -62.2 128.97 91.78 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.586 -167.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -79.22 20.56 0.82 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.609 2.873 . . . . 0.0 111.807 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.49 166.95 23.22 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.295 1.838 . . . . 0.0 111.387 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 66.31 72.15 0.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 123.318 1.532 . . . . 0.0 113.483 167.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 127.951 2.5 . . . . 0.0 111.241 174.009 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 121.554 0.693 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.273 2.8 t70 -171.93 149.72 2.48 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.502 1.921 . . . . 0.0 109.065 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -113.59 -27.59 7.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.439 2.296 . . . . 0.0 112.903 -172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 67.82 161.56 0.18 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.759 2.424 . . . . 0.0 114.831 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t 159.9 136.83 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 128.958 2.903 . . . . 0.0 112.291 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.35 10.79 2.88 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.588 2.859 . . . . 0.0 114.027 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -127.2 167.18 16.41 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.05 1.34 . . . . 0.0 113.034 -170.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 89.07 143.76 0.04 OUTLIER 'General case' 0 C--O 1.237 0.435 0 C-N-CA 128.599 2.76 . . . . 0.0 115.255 167.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 . . . . . 0 N--CA 1.445 -0.713 0 C-N-CA 127.532 2.333 . . . . 0.0 109.358 -168.309 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -150.28 145.33 26.12 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.433 2.293 . . . . 0.0 107.335 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -96.25 -26.58 15.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.128 2.571 . . . . 0.0 113.733 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 71.09 152.99 0.12 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.134 2.974 . . . . 0.0 115.162 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -168.94 117.54 0.59 Allowed Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.667 1.587 . . . . 0.0 111.213 165.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -78.45 24.56 0.56 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 124.512 3.474 . . . . 0.0 113.191 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -125.59 -160.54 0.97 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.033 . . . . 0.0 111.673 -168.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 79.76 162.15 0.18 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 124.348 2.023 . . . . 0.0 115.861 167.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 N--CA 1.44 -0.974 0 CA-C-N 112.234 -2.257 . . . . 0.0 107.839 -168.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.283 3.1 t70 -155.95 145.63 21.1 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 110.691 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -92.12 -32.53 15.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.546 2.739 . . . . 0.0 113.472 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 77.51 151.73 0.12 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 129.666 3.186 . . . . 0.0 114.455 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -175.52 94.9 0.27 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 127.067 2.147 . . . . 0.0 109.891 168.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -79.94 22.07 0.76 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.37 2.713 . . . . 0.0 111.81 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -111.01 163.59 13.68 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 111.367 -169.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 75.23 -179.93 0.18 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.444 1.497 . . . . 0.0 114.445 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 . . . . . 0 N--CA 1.449 -0.499 0 C-N-CA 123.794 0.838 . . . . 0.0 112.214 -166.346 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 CA--C 1.545 0.763 0 CA-C-O 121.753 0.787 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.6 147.24 27.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.849 1.66 . . . . 0.0 108.341 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -86.64 -31.97 20.81 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.942 1.697 . . . . 0.0 113.206 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 61.96 158.94 0.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.318 2.247 . . . . 0.0 114.432 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -169.83 142.04 1.93 Allowed Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.917 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -84.95 21.48 1.09 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.648 2.898 . . . . 0.0 113.016 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -134.2 -172.7 3.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.467 1.507 . . . . 0.0 111.877 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 95.81 136.69 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.601 2.76 . . . . 0.0 117.267 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 128.516 2.727 . . . . 0.0 107.393 -167.478 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 121.112 0.482 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.265 4.2 t70 -145.64 148.0 32.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.791 1.236 . . . . 0.0 108.858 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -102.91 -29.61 11.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.439 2.696 . . . . 0.0 113.306 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 77.77 168.79 0.22 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 129.061 2.944 . . . . 0.0 115.282 170.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -75.82 130.92 77.52 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.382 -0.824 . . . . 0.0 112.51 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.23 7.48 4.05 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.729 2.953 . . . . 0.0 113.999 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -155.7 170.82 21.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 128.027 2.531 . . . . 0.0 110.316 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 88.2 134.65 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.547 2.339 . . . . 0.0 115.764 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 124.67 1.188 . . . . 0.0 114.054 -168.557 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -65.94 119.56 11.53 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 117.697 0.749 . . . . 0.0 111.92 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.255 3.3 t70 -173.6 140.63 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.903 2.081 . . . . 0.0 108.296 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -88.28 -33.37 18.07 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.79 2.436 . . . . 0.0 113.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 82.46 145.24 0.07 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 130.168 3.387 . . . . 0.0 114.418 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -172.0 145.4 1.6 Allowed Pre-proline 0 CA--C 1.537 0.479 0 C-N-CA 127.119 2.168 . . . . 0.0 109.318 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -88.06 8.44 4.13 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 123.37 2.713 . . . . 0.0 113.143 169.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -144.64 160.36 41.3 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.001 1.72 . . . . 0.0 112.493 -173.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 86.89 155.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 128.261 2.624 . . . . 0.0 115.655 165.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.79 135.53 20.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 126.245 1.818 . . . . 0.0 107.3 -177.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -80.95 74.37 7.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 122.116 0.96 . . . . 0.0 109.864 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -74.19 156.73 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 127.927 2.491 . . . . 0.0 108.913 173.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -62.71 -12.74 25.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.756 -1.215 . . . . 0.0 113.349 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -149.82 166.82 28.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.863 1.665 . . . . 0.0 111.551 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.85 140.42 40.44 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.462 1.505 . . . . 0.0 110.92 173.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -148.66 50.46 1.0 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.455 1.902 . . . . 0.0 110.892 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.99 -44.12 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.428 2.691 . . . . 0.0 111.101 -174.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 m -86.32 126.15 34.13 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.017 -1.052 . . . . 0.0 111.19 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 120.316 -1.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.775 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -159.82 138.17 10.38 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.525 1.13 . . . . 0.0 110.842 169.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.263 5.2 t70 -158.99 141.61 14.2 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.077 1.751 . . . . 0.0 108.928 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -82.52 -33.69 28.18 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.839 2.055 . . . . 0.0 114.208 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 68.8 149.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 129.152 2.981 . . . . 0.0 115.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -157.63 114.98 1.87 Allowed Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.955 167.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -83.82 28.67 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.464 3.443 . . . . 0.0 111.389 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 161.17 41.38 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.117 1.367 . . . . 0.0 113.494 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 81.06 154.86 0.13 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.68 2.392 . . . . 0.0 112.814 169.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -129.38 167.8 17.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.827 0.851 . . . . 0.0 112.817 -166.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -129.9 102.91 6.5 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.741 1.217 . . . . 0.0 110.834 -172.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -165.84 131.12 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 127.056 2.143 . . . . 0.0 108.671 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -90.42 117.75 29.36 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -171.12 164.57 7.39 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -168.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 52.13 -141.19 0.84 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.37 1.468 . . . . 0.0 112.692 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -94.74 -9.77 33.68 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -169.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.64 -12.19 0.34 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -169.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.4 m -99.99 137.75 38.01 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.409 1.004 . . . . 0.0 113.064 -168.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 120.806 -1.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.934 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 p -163.81 127.55 2.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.937 0.868 . . . . 0.0 112.851 -169.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.274 2.8 t70 -178.01 153.05 0.78 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.366 1.866 . . . . 0.0 109.28 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -100.89 -25.85 13.95 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.132 2.573 . . . . 0.0 112.75 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 5' ' ' LEU . 2.9 mm? 73.13 162.76 0.27 Allowed 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 130.03 3.332 . . . . 0.0 113.894 174.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -67.3 126.7 92.91 Favored Pre-proline 0 CA--C 1.542 0.639 0 O-C-N 121.555 -0.715 . . . . 0.0 112.261 -168.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -76.1 10.64 2.0 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.701 2.934 . . . . 0.0 113.953 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -138.88 155.97 47.67 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.839 1.256 . . . . 0.0 110.853 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 80.36 177.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.347 1.859 . . . . 0.0 115.091 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -172.69 151.21 2.28 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.53 1.532 . . . . 0.0 110.209 -167.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -98.28 104.07 16.07 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.803 0.841 . . . . 0.0 109.78 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -70.68 147.1 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -70.1 -12.68 61.78 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.022 0.929 . . . . 0.0 113.499 -169.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.14 159.5 23.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.293 1.037 . . . . 0.0 111.648 167.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.25 140.73 51.66 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.183 1.793 . . . . 0.0 109.259 168.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -165.53 18.44 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.333 1.453 . . . . 0.0 114.478 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.49 -28.0 0.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 -164.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.4 m -170.33 -25.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.897 2.079 . . . . 0.0 113.255 -175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 O-C-N 120.173 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.813 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -72.4 104.84 3.89 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.335 0.588 . . . . 0.0 111.849 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.259 2.1 t70 -160.67 152.24 19.52 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.35 1.072 . . . . 0.0 111.429 -168.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -106.83 -24.52 12.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.69 2.396 . . . . 0.0 113.282 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 64.66 162.31 0.13 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 128.605 2.762 . . . . 0.0 114.987 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -161.65 143.52 8.7 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -75.46 20.63 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.579 3.519 . . . . 0.0 113.606 174.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -127.41 173.97 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 126.518 1.927 . . . . 0.0 111.792 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 68.31 172.86 0.28 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.86 1.264 . . . . 0.0 113.813 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -153.04 174.14 14.55 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.139 0.975 . . . . 0.0 111.0 -166.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -105.64 145.86 30.47 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.756 0.823 . . . . 0.0 110.665 169.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 t 69.19 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 128.334 2.654 . . . . 0.0 108.872 -168.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -100.18 -15.71 18.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.805 1.642 . . . . 0.0 112.157 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -129.86 140.11 51.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.393 1.077 . . . . 0.0 111.9 -172.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 58.52 11.38 1.69 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.4 1.88 . . . . 0.0 115.25 172.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -60.98 -27.46 68.3 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.379 -1.45 . . . . 0.0 113.702 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.66 -39.93 3.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.949 1.7 . . . . 0.0 111.239 168.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.9 p -88.63 9.29 24.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.904 2.082 . . . . 0.0 114.588 -169.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 O-C-N 119.49 -2.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.052 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -74.04 167.34 21.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -173.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.276 3.9 t70 -151.97 139.31 19.42 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.714 1.206 . . . . 0.0 109.107 172.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -90.91 -23.53 20.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 130.184 3.394 . . . . 0.0 112.876 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.261 2.8 mm? 80.43 159.09 0.16 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 131.596 3.958 . . . . 0.0 114.067 174.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -62.2 128.97 91.78 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 115.029 -0.987 . . . . 0.0 112.586 -167.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -79.22 20.56 0.82 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.609 2.873 . . . . 0.0 111.807 172.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -139.49 166.95 23.22 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.295 1.838 . . . . 0.0 111.387 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 66.31 72.15 0.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 123.318 1.532 . . . . 0.0 113.483 167.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 81.45 8.21 1.05 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.951 2.5 . . . . 0.0 111.241 174.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -63.57 103.41 0.53 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.618 2.367 . . . . 0.0 112.0 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.87 154.35 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.936 1.294 . . . . 0.0 112.221 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -155.3 -21.0 0.11 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.002 1.721 . . . . 0.0 113.167 171.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -150.51 110.81 4.18 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.549 1.14 . . . . 0.0 110.257 -176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -127.04 -7.79 5.99 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.319 1.848 . . . . 0.0 113.165 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -125.37 -169.94 2.08 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.291 2.236 . . . . 0.0 110.43 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -51.75 138.1 24.26 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.851 1.261 . . . . 0.0 113.274 -177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.3 m -172.11 170.25 5.3 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.65 2.38 . . . . 0.0 110.295 -170.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 120.571 -1.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.894 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m -115.5 130.42 56.87 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 124.604 1.162 . . . . 0.0 111.749 -175.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.273 2.8 t70 -171.93 149.72 2.48 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.502 1.921 . . . . 0.0 109.065 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -113.59 -27.59 7.8 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.439 2.296 . . . . 0.0 112.903 -172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 67.82 161.56 0.18 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.759 2.424 . . . . 0.0 114.831 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t 159.9 136.83 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 128.958 2.903 . . . . 0.0 112.291 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.35 10.79 2.88 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.588 2.859 . . . . 0.0 114.027 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -127.2 167.18 16.41 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 125.05 1.34 . . . . 0.0 113.034 -170.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 89.07 143.76 0.04 OUTLIER 'General case' 0 C--O 1.237 0.435 0 C-N-CA 128.599 2.76 . . . . 0.0 115.255 167.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -132.43 132.75 43.1 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 127.532 2.333 . . . . 0.0 109.358 -168.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -63.3 146.62 53.08 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.629 -0.669 . . . . 0.0 109.208 168.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.2 107.21 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.339 0.656 . . . . 0.0 109.826 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -146.52 24.11 1.25 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.53 1.132 . . . . 0.0 111.502 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.28 174.35 0.34 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 128.388 2.675 . . . . 0.0 108.667 -168.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -149.83 -41.03 0.14 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.308 1.443 . . . . 0.0 111.569 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -165.98 113.36 0.91 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.1 1.76 . . . . 0.0 109.899 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -71.11 147.59 48.29 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.858 1.263 . . . . 0.0 110.082 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.9 m -92.77 -10.56 36.52 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 119.948 -1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.608 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m -54.59 127.73 29.19 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -173.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -150.28 145.33 26.12 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.433 2.293 . . . . 0.0 107.335 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -96.25 -26.58 15.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.128 2.571 . . . . 0.0 113.733 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 71.09 152.99 0.12 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.134 2.974 . . . . 0.0 115.162 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -168.94 117.54 0.59 Allowed Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.667 1.587 . . . . 0.0 111.213 165.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -78.45 24.56 0.56 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 124.512 3.474 . . . . 0.0 113.191 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -125.59 -160.54 0.97 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.033 . . . . 0.0 111.673 -168.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 79.76 162.15 0.18 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 124.348 2.023 . . . . 0.0 115.861 167.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -81.04 89.11 5.93 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 112.234 -2.257 . . . . 0.0 107.839 -168.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -81.34 139.79 35.15 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.976 0.511 . . . . 0.0 110.649 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -171.25 129.42 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 128.233 2.613 . . . . 0.0 107.151 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.61 -1.01 2.1 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -168.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.45 164.03 13.62 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.246 0.93 . . . . 0.0 111.517 173.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? 74.49 12.72 3.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.657 1.983 . . . . 0.0 113.627 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.51 -1.79 46.5 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.419 1.488 . . . . 0.0 113.658 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.9 -56.37 3.73 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.438 1.095 . . . . 0.0 110.054 -171.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.3 m -133.39 -7.88 2.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.908 1.283 . . . . 0.0 112.645 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 O-C-N 119.925 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.088 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -162.33 -179.02 6.68 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.624 1.57 . . . . 0.0 112.545 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.283 3.1 t70 -155.95 145.63 21.1 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 110.691 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -92.12 -32.53 15.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.546 2.739 . . . . 0.0 113.472 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 77.51 151.73 0.12 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 129.666 3.186 . . . . 0.0 114.455 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -175.52 94.9 0.27 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 127.067 2.147 . . . . 0.0 109.891 168.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -79.94 22.07 0.76 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.37 2.713 . . . . 0.0 111.81 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -111.01 163.59 13.68 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 111.367 -169.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 75.23 -179.93 0.18 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.444 1.497 . . . . 0.0 114.445 168.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -158.21 157.78 33.27 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.794 0.838 . . . . 0.0 112.214 -166.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -84.78 109.33 17.99 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 105.299 -2.112 . . . . 0.0 105.299 165.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.36 129.74 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -154.86 38.54 0.42 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.153 0.501 . . . . 0.0 112.294 -167.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -56.06 -34.78 66.26 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.796 1.238 . . . . 0.0 110.914 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -138.38 170.1 16.61 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.51 1.924 . . . . 0.0 109.251 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -79.56 126.12 30.47 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.909 -1.119 . . . . 0.0 110.758 169.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -68.41 137.96 54.93 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.6 p -91.82 -6.4 51.74 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.271 1.028 . . . . 0.0 112.417 170.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.91 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -75.45 179.41 5.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.382 1.073 . . . . 0.0 112.213 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.6 147.24 27.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.849 1.66 . . . . 0.0 108.341 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -86.64 -31.97 20.81 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.942 1.697 . . . . 0.0 113.206 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 61.96 158.94 0.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.318 2.247 . . . . 0.0 114.432 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -169.83 142.04 1.93 Allowed Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.917 170.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -84.95 21.48 1.09 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.648 2.898 . . . . 0.0 113.016 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -134.2 -172.7 3.07 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.467 1.507 . . . . 0.0 111.877 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 95.81 136.69 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.601 2.76 . . . . 0.0 117.267 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 171.32 172.33 0.08 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 128.516 2.727 . . . . 0.0 107.393 -167.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 117.81 10.46 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.523 -0.736 . . . . 0.0 109.24 171.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p 170.28 139.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 129.38 3.072 . . . . 0.0 108.979 -172.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -62.69 135.57 57.43 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.932 0.872 . . . . 0.0 110.642 170.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -69.22 144.43 53.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.483 1.113 . . . . 0.0 113.465 -170.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? 73.09 -23.47 0.21 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 128.161 2.584 . . . . 0.0 115.897 171.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -59.68 -29.32 67.99 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 121.029 1.741 . . . . 0.0 114.065 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.81 -4.02 0.09 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 168.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.4 p -156.46 -151.83 0.35 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.4 1.88 . . . . 0.0 109.189 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 119.36 -2.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.659 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -150.82 141.38 22.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.599 -0.941 . . . . 0.0 111.436 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.265 4.2 t70 -145.64 148.0 32.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.791 1.236 . . . . 0.0 108.858 177.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -102.91 -29.61 11.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.439 2.696 . . . . 0.0 113.306 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 77.77 168.79 0.22 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 129.061 2.944 . . . . 0.0 115.282 170.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 t -75.82 130.92 77.52 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.382 -0.824 . . . . 0.0 112.51 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.23 7.48 4.05 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.729 2.953 . . . . 0.0 113.999 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -155.7 170.82 21.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 128.027 2.531 . . . . 0.0 110.316 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 88.2 134.65 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.547 2.339 . . . . 0.0 115.764 166.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -154.48 -13.23 0.13 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.67 1.188 . . . . 0.0 114.054 -168.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -79.58 123.8 27.94 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.308 1.413 . . . . 0.0 112.131 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -49.31 145.52 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.27 2.228 . . . . 0.0 113.11 169.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -66.5 102.62 0.91 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.622 1.169 . . . . 0.0 112.811 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 161.62 176.85 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 129.923 3.289 . . . . 0.0 109.87 -170.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -132.46 128.65 37.9 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.931 1.292 . . . . 0.0 109.422 169.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -153.59 -1.23 0.22 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -175.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -77.09 175.86 9.23 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.456 -0.777 . . . . 0.0 110.097 168.383 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.5 m -65.46 -25.59 67.57 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -174.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 O-C-N 119.93 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' FKZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_