data_2mgt_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mgt _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.27 77.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -155.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -27.0 67.34 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -116.72 -11.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.523 1.129 . . . . 0.0 113.646 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -73.96 70.48 1.5 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 122.619 1.199 . . . . 0.0 108.557 159.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -105.61 147.99 27.82 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 127.486 2.314 . . . . 0.0 107.756 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.8 -20.11 53.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.363 1.865 . . . . 0.0 111.598 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 m -84.02 12.92 5.56 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.072 1.349 . . . . 0.0 113.825 -165.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -122.57 3.41 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 104.651 -3.38 . . . . 0.0 104.651 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.92 156.81 9.41 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.895 2.478 . . . . 0.0 109.427 -4.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.1 102.68 7.07 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 135.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.87 -17.92 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 125.437 1.495 . . . . 0.0 113.079 -172.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -61.15 -19.02 61.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.13 4.23 36.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.752 1.221 . . . . 0.0 113.549 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -122.38 169.53 10.86 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.392 1.477 . . . . 0.0 112.005 167.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.252 -164.909 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.8 -33.68 50.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 126.245 1.818 . . . . 0.0 114.858 -167.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -67.95 -33.83 75.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.333 1.053 . . . . 0.0 111.597 -171.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -119.04 -2.45 10.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.414 1.485 . . . . 0.0 114.682 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -74.01 77.11 1.7 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.992 1.317 . . . . 0.0 108.245 153.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -123.3 152.02 41.83 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.108 2.563 . . . . 0.0 109.345 -173.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.96 -7.91 56.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.668 0.787 . . . . 0.0 112.922 166.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -76.33 15.14 0.63 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.786 1.635 . . . . 0.0 114.125 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.406 ' HA3' ' CG ' ' B' ' 10' ' ' TYR . . . -133.47 -108.5 1.07 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 105.2 -3.16 . . . . 0.0 105.2 170.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.406 ' CG ' ' HA3' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -174.72 152.99 1.69 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.213 2.605 . . . . 0.0 109.646 -4.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -140.86 82.75 1.86 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 154.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -55.79 -25.47 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 C-N-CA 127.663 2.385 . . . . 0.0 112.678 -161.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -63.34 -20.09 65.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.682 0.614 . . . . 0.0 112.572 -167.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -150.57 10.5 0.65 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 169.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.62 161.79 13.36 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.802 1.241 . . . . 0.0 110.507 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.813 178.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.85 62.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.056 1.342 . . . . 0.0 111.812 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.67 -13.2 61.67 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -105.76 -21.27 13.21 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.598 1.09 . . . . 0.0 112.507 173.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -75.67 63.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.2 1.0 . . . . 0.0 109.079 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -98.88 154.38 18.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.859 2.464 . . . . 0.0 109.973 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.55 -41.93 96.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 112.329 171.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.8 m -83.69 67.67 9.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.385 1.474 . . . . 0.0 112.015 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.96 -137.37 2.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.26 156.49 5.79 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.759 3.223 . . . . 0.0 107.31 -1.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -136.81 100.2 4.25 Favored 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 147.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.5 -15.13 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.351 1.46 . . . . 0.0 112.956 -166.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -58.03 -24.96 60.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -100.33 6.92 44.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.942 0.897 . . . . 0.0 112.648 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -78.47 -77.75 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.359 0.981 . . . . 0.0 110.214 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -170.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 . . . . . 0 N--CA 1.461 0.091 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.74 -37.75 6.27 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.02 1.728 . . . . 0.0 113.773 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -54.7 -34.92 63.04 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 126.014 1.725 . . . . 0.0 113.723 -177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -109.72 -16.13 13.98 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.917 172.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mmm-85 -81.76 52.37 1.9 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 122.302 1.048 . . . . 0.0 109.843 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.48 152.54 43.9 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.365 2.666 . . . . 0.0 109.888 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -63.8 -40.11 95.86 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.402 1.081 . . . . 0.0 113.256 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.9 m -84.95 121.16 27.36 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.84 0.856 . . . . 0.0 109.16 -167.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.85 -134.86 4.07 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 107.655 -2.178 . . . . 0.0 107.655 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.05 147.43 5.58 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.614 2.365 . . . . 0.0 110.265 -3.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -134.24 74.31 1.53 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.614 1.166 . . . . 0.0 108.062 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.18 -27.66 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 128.083 2.553 . . . . 0.0 114.747 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.04 -11.26 56.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -82.59 -20.56 36.24 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.95 146.45 35.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 119.509 1.05 . . . . 0.0 113.275 -158.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 127.122 2.169 . . . . 0.0 111.491 -169.645 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 t70 . . . . . 0 CA--C 1.54 0.588 0 CA-C-O 120.251 0.072 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.95 -38.61 76.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.48 1.112 . . . . 0.0 113.446 -169.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.16 -11.32 8.56 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.211 1.804 . . . . 0.0 114.776 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' C ' ' H ' ' A' ' 6' ' ' ARG . 61.4 m-85 -107.7 -26.87 10.63 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 125.194 1.398 . . . . 0.0 112.085 172.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -67.73 17.87 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 113.085 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.6 mmp_? -53.11 141.7 22.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 126.517 1.927 . . . . 0.0 111.193 170.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.47 -20.75 65.52 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.457 1.103 . . . . 0.0 111.176 167.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -63.29 -0.82 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.291 1.836 . . . . 0.0 114.888 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 -120.99 2.58 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 107.317 -2.313 . . . . 0.0 107.317 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.54 145.46 1.59 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 120.894 2.347 . . . . 0.0 111.229 2.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -129.07 82.45 2.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 152.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.57 -26.78 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 128.618 2.767 . . . . 0.0 113.694 -166.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -54.25 -28.71 43.24 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -91.58 1.56 57.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.379 1.445 . . . . 0.0 114.506 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -135.46 -67.65 0.53 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.591 1.156 . . . . 0.0 109.074 -174.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.291 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.528 0 C-N-CA 127.766 2.426 . . . . 0.0 114.574 174.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.95 -42.59 59.88 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 125.973 1.709 . . . . 0.0 113.121 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.37 -17.01 51.97 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -106.27 -12.45 15.7 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.461 1.504 . . . . 0.0 112.603 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -76.05 51.22 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.044 1.338 . . . . 0.0 110.33 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.79 172.53 8.57 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.829 2.452 . . . . 0.0 110.742 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -71.72 -33.0 68.36 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -168.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -115.06 129.62 56.74 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.497 1.044 . . . . 0.0 113.24 -171.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.19 -129.34 2.43 Favored Glycine 0 CA--C 1.533 1.16 0 N-CA-C 105.951 -2.859 . . . . 0.0 105.951 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.44 ' HH ' ' CD ' ' B' ' 15' ' ' GLN . 0.1 OUTLIER -175.81 145.4 0.68 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 122.276 3.038 . . . . 0.0 110.184 -1.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -128.07 107.3 9.7 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 140.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.67 -18.45 23.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 125.934 1.693 . . . . 0.0 113.012 -168.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -62.47 -23.64 67.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.097 -0.477 . . . . 0.0 111.556 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -91.97 -13.84 30.45 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.221 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.44 ' CD ' ' HH ' ' B' ' 10' ' ' TYR . 41.5 tp60 -55.83 -34.62 65.56 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 119.591 1.087 . . . . 0.0 111.836 173.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 CA--C 1.54 0.596 0 C-N-CA 125.969 1.708 . . . . 0.0 109.589 178.535 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 121.554 0.693 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.66 93.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.898 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.34 -23.58 49.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.15 0.98 . . . . 0.0 112.893 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -96.96 -17.75 19.89 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 18.62 0.13 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.925 1.238 . . . . 0.0 113.636 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.09 162.91 25.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.178 2.191 . . . . 0.0 113.958 -165.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.92 -14.83 17.47 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.299 1.44 . . . . 0.0 112.661 165.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -61.9 -2.64 0.92 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.491 2.316 . . . . 0.0 114.436 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.83 -118.17 0.95 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 106.674 -2.571 . . . . 0.0 106.674 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.82 146.04 5.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.903 2.352 . . . . 0.0 112.141 3.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.19 89.93 2.57 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 150.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -53.92 -26.07 13.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 126.205 1.802 . . . . 0.0 112.076 -166.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -66.72 -13.82 61.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.22 -3.4 56.98 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.597 1.09 . . . . 0.0 113.176 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -122.66 -32.09 3.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.62 1.168 . . . . 0.0 110.93 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt . . . . . 0 CA--C 1.532 0.268 0 C-N-CA 125.885 1.674 . . . . 0.0 109.377 170.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 119.711 -0.185 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.43 86.95 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.605 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.44 -9.19 23.46 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -102.55 -25.77 13.47 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 116.871 -1.538 . . . . 0.0 113.6 171.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -71.22 45.94 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.724 1.61 . . . . 0.0 111.089 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.31 162.52 14.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.763 2.825 . . . . 0.0 110.683 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.22 -27.64 63.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.151 0.98 . . . . 0.0 112.72 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.9 m -72.88 94.82 1.87 Allowed 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 123.658 0.783 . . . . 0.0 110.852 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.5 -121.77 1.44 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 104.524 -3.43 . . . . 0.0 104.524 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.89 4.94 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.832 2.453 . . . . 0.0 109.978 -9.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.37 92.78 3.23 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 147.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.9 t -55.9 -19.71 7.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 126.215 1.806 . . . . 0.0 112.9 -170.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -56.21 -20.63 18.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 124.921 1.288 . . . . 0.0 113.904 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -109.57 6.1 23.67 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 120.06 1.3 . . . . 0.0 113.138 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -59.11 -38.31 79.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 120.21 1.368 . . . . 0.0 113.455 -169.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttm . . . . . 0 CA--C 1.535 0.395 0 C-N-CA 127.122 2.169 . . . . 0.0 112.895 176.096 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.321 0.105 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.21 -40.16 73.6 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.42 1.488 . . . . 0.0 112.139 -175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.21 -21.14 21.38 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.875 -1.536 . . . . 0.0 113.71 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -102.07 -13.03 17.68 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.261 1.424 . . . . 0.0 113.494 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -74.22 43.39 0.17 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.714 1.206 . . . . 0.0 110.892 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.9 152.6 20.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.746 2.018 . . . . 0.0 112.053 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.75 -13.37 32.0 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -54.38 -13.99 1.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 127.247 2.219 . . . . 0.0 115.299 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -129.78 1.83 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.03 153.04 4.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.624 2.212 . . . . 0.0 111.483 11.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -134.3 71.21 1.45 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.458 1.503 . . . . 0.0 107.8 161.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.11 -24.96 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 129.637 3.175 . . . . 0.0 115.204 -165.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -73.54 -4.87 36.6 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.262 0.937 . . . . 0.0 112.352 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -89.46 -1.48 58.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.364 1.438 . . . . 0.0 113.524 163.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -131.47 163.18 28.53 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 125.374 1.47 . . . . 0.0 111.088 -167.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.222 -0.367 0 C-N-CA 124.493 1.117 . . . . 0.0 111.81 -174.839 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.54 -41.41 21.2 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 126.088 1.755 . . . . 0.0 114.974 -165.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.43 -27.27 69.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -117.18 -11.34 10.69 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.192 0.597 . . . . 0.0 111.758 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -78.15 81.13 4.54 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.268 1.427 . . . . 0.0 107.235 167.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -117.43 177.63 4.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.505 2.322 . . . . 0.0 110.094 -168.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -63.22 -38.28 90.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.915 0.486 . . . . 0.0 111.399 168.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -150.74 172.61 15.31 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.32 2.248 . . . . 0.0 110.764 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.87 -101.21 0.15 Allowed Glycine 0 CA--C 1.534 1.252 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.11 146.41 7.56 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.921 1.86 . . . . 0.0 112.015 -1.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.76 78.07 1.78 Allowed 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 150.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -38.57 -39.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 127.892 2.477 . . . . 0.0 112.934 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -56.94 -27.77 61.45 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 117.039 -1.458 . . . . 0.0 113.918 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -165.48 -2.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -156.31 162.28 40.11 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 121.818 2.099 . . . . 0.0 112.583 -163.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.223 -0.316 0 C-N-CA 126.352 1.861 . . . . 0.0 113.286 -177.28 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 126.934 2.094 . . . . 0.0 113.47 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.98 -19.51 52.68 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 125.904 1.682 . . . . 0.0 113.75 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' C ' ' H ' ' A' ' 6' ' ' ARG . 25.9 m-85 -107.2 -17.33 14.18 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 125.357 1.463 . . . . 0.0 112.137 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -72.15 19.74 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.098 0.959 . . . . 0.0 112.339 170.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.416 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.9 mmp_? -58.41 151.15 20.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.686 1.594 . . . . 0.0 110.135 165.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.29 -26.12 68.63 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 166.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.7 m -74.98 90.9 2.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.184 0.994 . . . . 0.0 111.236 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.99 -129.48 2.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 106.117 -2.793 . . . . 0.0 106.117 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.5 155.32 17.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.67 2.788 . . . . 0.0 111.088 -6.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.29 95.19 2.96 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 141.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.33 -16.21 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 126.962 2.105 . . . . 0.0 113.353 -172.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.24 -26.72 68.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.024 0.929 . . . . 0.0 111.979 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -88.88 -11.89 43.34 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.273 1.397 . . . . 0.0 112.448 172.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -84.7 -30.08 25.08 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.175 0.99 . . . . 0.0 111.982 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 125.415 1.486 . . . . 0.0 108.941 -176.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.61 -46.82 40.11 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 124.482 1.113 . . . . 0.0 112.196 -164.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.01 -22.78 61.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 116.158 1.911 . . . . 0.0 116.158 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -116.53 -18.19 10.44 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.162 0.892 . . . . 0.0 111.709 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -77.59 68.63 3.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 162.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -96.98 147.32 24.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.762 2.025 . . . . 0.0 109.892 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -64.5 -16.43 62.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.848 0.859 . . . . 0.0 112.01 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -64.45 4.57 0.36 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.156 2.982 . . . . 0.0 114.676 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.46 -111.4 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 105.888 -2.885 . . . . 0.0 105.888 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.0 145.06 2.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 120.814 2.307 . . . . 0.0 108.971 -2.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.62 71.39 1.47 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 158.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 t -42.62 -38.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 128.634 2.774 . . . . 0.0 113.263 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -65.92 -20.13 66.11 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 117.371 -1.3 . . . . 0.0 113.877 -164.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -140.63 4.55 1.95 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.617 1.098 . . . . 0.0 112.469 164.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.09 -158.9 0.4 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.662 0.785 . . . . 0.0 109.38 161.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.3 mttp . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -173.204 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.6 t0 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.72 87.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.987 1.715 . . . . 0.0 113.405 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.79 -14.3 8.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.811 2.045 . . . . 0.0 114.548 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.88 -11.35 14.69 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 124.368 1.067 . . . . 0.0 112.727 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.75 31.75 0.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.6 1.091 . . . . 0.0 112.08 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -83.86 161.98 20.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 128.095 2.558 . . . . 0.0 111.487 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.67 -17.76 64.7 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.791 -0.568 . . . . 0.0 111.811 164.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 m -65.9 13.57 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.401 2.28 . . . . 0.0 115.541 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.37 -120.05 1.09 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 167.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.16 149.95 2.93 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 120.422 2.111 . . . . 0.0 110.691 4.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.71 90.14 2.67 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 152.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.75 -20.62 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 128.02 2.528 . . . . 0.0 113.994 -167.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.18 -17.38 64.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.419 -0.8 . . . . 0.0 111.119 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -99.3 -9.08 24.04 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.792 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -58.42 -41.75 85.72 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.532 1.06 . . . . 0.0 108.912 155.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt . . . . . 0 N--CA 1.449 -0.517 0 C-N-CA 126.72 2.008 . . . . 0.0 112.153 176.108 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.38 73.82 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 125.324 1.45 . . . . 0.0 113.318 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.56 -25.13 62.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.118 1.367 . . . . 0.0 113.593 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' B' ' 6' ' ' ARG . 26.8 m-85 -96.55 -16.91 20.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 117.8 -1.095 . . . . 0.0 112.076 174.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -74.9 32.59 0.1 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.564 1.146 . . . . 0.0 112.278 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' B' ' 4' ' ' PHE . 4.6 mmp_? -83.67 157.69 22.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.416 1.886 . . . . 0.0 109.972 174.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.97 -12.53 55.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.086 1.354 . . . . 0.0 112.806 167.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -78.13 59.93 2.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 112.875 -165.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.19 -115.73 0.52 Allowed Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 106.917 -2.473 . . . . 0.0 106.917 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.64 156.42 6.51 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 127.84 2.456 . . . . 0.0 109.341 -0.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -133.21 114.97 14.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 131.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.28 -16.67 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.623 1.169 . . . . 0.0 113.213 -163.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -64.05 -14.81 57.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -139.62 -71.84 0.39 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 119.334 0.97 . . . . 0.0 112.103 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -159.42 161.76 35.61 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 122.333 1.063 . . . . 0.0 112.581 -153.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.452 -0.369 0 C-N-CA 124.439 1.096 . . . . 0.0 112.814 -175.478 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.53 -44.76 69.45 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 125.753 1.621 . . . . 0.0 113.407 -171.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.65 -16.3 37.49 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' A' ' 6' ' ' ARG . 55.3 m-85 -105.17 -11.73 16.43 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.374 0.988 . . . . 0.0 113.055 176.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -71.51 18.72 0.07 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.345 0.975 . . . . 0.0 112.477 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 4' ' ' PHE . 3.4 mmp_? -68.49 170.49 8.98 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.567 1.947 . . . . 0.0 111.598 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.62 -14.01 17.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.516 1.526 . . . . 0.0 114.227 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 m -69.96 -8.32 47.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -166.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.67 -117.66 0.98 Allowed Glycine 0 C--N 1.343 0.958 0 CA-C-N 120.38 1.445 . . . . 0.0 109.744 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.54 147.21 8.78 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 128.256 2.623 . . . . 0.0 110.386 -5.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.43 101.55 6.74 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 141.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.61 -25.97 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 124.78 1.232 . . . . 0.0 112.038 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -65.16 -12.75 54.45 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -166.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -114.79 12.65 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.499 1.045 . . . . 0.0 112.943 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -135.11 -68.6 0.52 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 120.299 1.409 . . . . 0.0 112.403 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 CA--C 1.519 -0.213 0 CA-C-N 118.54 0.609 . . . . 0.0 111.455 -168.271 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 110.617 -0.142 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.25 29.61 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 126.653 1.981 . . . . 0.0 114.215 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.86 -34.24 12.21 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.804 2.042 . . . . 0.0 114.438 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -117.44 -8.56 11.0 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.573 1.149 . . . . 0.0 112.759 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.457 ' HE ' ' CG1' ' B' ' 12' ' ' VAL . 20.4 tpp85 -80.7 57.5 2.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.678 1.591 . . . . 0.0 108.424 166.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -88.15 158.79 18.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.464 2.305 . . . . 0.0 110.82 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.73 -11.34 59.07 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.463 0.705 . . . . 0.0 112.619 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.0 m -73.85 36.51 0.09 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.613 1.965 . . . . 0.0 114.307 -170.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.81 -110.27 0.23 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 105.74 -2.944 . . . . 0.0 105.74 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.54 158.15 9.26 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 121.007 2.403 . . . . 0.0 111.373 1.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -140.7 61.45 1.51 Allowed 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.245 1.418 . . . . 0.0 107.72 166.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.457 ' CG1' ' HE ' ' B' ' 5' ' ' ARG . 94.7 t -54.91 -20.6 6.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 112.612 -173.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.2 -13.75 41.19 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -141.24 1.71 1.63 Allowed 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 156.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -93.44 167.59 11.61 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.654 1.115 . . . . 0.0 110.545 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.168 0.987 . . . . 0.0 112.977 -171.825 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.23 71.1 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.841 1.256 . . . . 0.0 113.141 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.54 -17.6 62.97 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.302 1.441 . . . . 0.0 113.292 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' C ' ' H ' ' A' ' 6' ' ' ARG . 23.0 m-85 -102.45 -18.16 15.47 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.941 1.296 . . . . 0.0 112.472 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -72.94 37.31 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.827 1.194 . . . . 0.0 112.06 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.0 mmp_? -82.61 167.43 18.31 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.319 2.247 . . . . 0.0 110.581 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -77.37 -34.19 55.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.163 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -81.14 10.67 4.99 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -159.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.29 -122.28 3.4 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 105.907 -2.877 . . . . 0.0 105.907 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.36 152.5 7.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 127.912 2.485 . . . . 0.0 110.614 0.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -139.23 75.46 1.52 Allowed 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 113.638 -1.619 . . . . 0.0 106.818 155.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.14 -34.19 10.42 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 127.37 2.268 . . . . 0.0 111.899 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -60.16 -9.68 3.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.868 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -152.71 5.23 0.37 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.848 1.203 . . . . 0.0 113.923 162.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.64 -35.38 20.98 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 120.15 1.341 . . . . 0.0 112.691 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.2 mttt . . . . . 0 N--CA 1.47 0.556 0 CA-C-N 119.446 1.021 . . . . 0.0 113.157 173.328 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -34.42 -53.22 0.51 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 128.898 2.879 . . . . 0.0 114.994 -167.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -49.39 -43.76 44.51 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 126.122 1.769 . . . . 0.0 113.268 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' B' ' 6' ' ' ARG . 36.3 p90 -105.01 -12.61 16.09 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.636 1.174 . . . . 0.0 112.385 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -73.56 31.99 0.07 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.649 1.18 . . . . 0.0 112.003 169.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.487 ' H ' ' C ' ' B' ' 4' ' ' PHE . 4.4 mmp_? -47.91 134.93 12.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.344 2.658 . . . . 0.0 109.309 163.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -57.23 -36.9 71.48 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -166.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.8 m -85.95 136.96 33.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.175 0.99 . . . . 0.0 111.041 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.46 -120.07 0.91 Allowed Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 104.525 -3.43 . . . . 0.0 104.525 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.58 148.78 3.78 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.646 2.778 . . . . 0.0 110.43 -8.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -140.65 60.02 1.54 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.908 2.083 . . . . 0.0 105.698 167.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.43 -40.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 128.982 2.913 . . . . 0.0 113.794 -166.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -72.98 -3.0 23.28 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.249 -0.881 . . . . 0.0 113.169 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . 0.268 0.7 OUTLIER -148.31 29.24 0.87 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.686 1.13 . . . . 0.0 112.445 152.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -120.34 -179.19 3.88 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 126.54 1.936 . . . . 0.0 109.73 165.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 pttt . . . . . 0 C--O 1.225 -0.188 0 C-N-CA 124.773 1.229 . . . . 0.0 110.618 -171.81 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -31.69 -48.38 0.14 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.889 2.876 . . . . 0.0 116.395 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.9 -20.79 64.14 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.628 1.171 . . . . 0.0 113.763 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' C ' ' H ' ' A' ' 6' ' ' ARG . 65.8 m-85 -102.27 -11.1 18.97 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.494 174.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -71.44 26.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.097 1.359 . . . . 0.0 112.135 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.0 mmp_? -81.52 167.2 19.58 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 126.964 2.106 . . . . 0.0 111.925 -176.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.68 -20.51 64.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.657 1.183 . . . . 0.0 112.936 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -56.35 -27.8 57.11 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 127.936 2.494 . . . . 0.0 116.074 -165.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.26 -112.55 2.25 Favored Glycine 0 C--O 1.222 -0.632 0 N-CA-C 106.512 -2.635 . . . . 0.0 106.512 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.23 155.76 8.15 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.057 2.143 . . . . 0.0 110.794 -5.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -140.51 77.34 1.6 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 160.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.26 -28.13 25.29 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 126.25 1.82 . . . . 0.0 112.422 -162.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -68.83 -10.4 56.66 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.613 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.34 -30.22 23.86 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.191 1.814 . . . . 0.0 112.653 165.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.88 -30.51 45.0 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.465 0.575 . . . . 0.0 111.713 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? . . . . . 0 N--CA 1.454 -0.257 0 C-N-CA 124.156 0.982 . . . . 0.0 110.611 -178.465 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.6 t0 . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.16 75.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.328 1.451 . . . . 0.0 112.58 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.77 -15.41 29.36 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 126.779 2.032 . . . . 0.0 114.997 174.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -103.56 -23.67 13.47 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.284 169.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 -73.61 48.31 0.26 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 110.566 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.4 161.1 14.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 129.194 2.998 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.85 -23.56 62.35 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.5 m -58.99 -12.25 4.38 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.042 1.737 . . . . 0.0 115.658 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.05 -123.97 2.64 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 105.914 -2.874 . . . . 0.0 105.914 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.71 163.33 29.77 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.842 2.057 . . . . 0.0 110.64 -3.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -142.07 64.17 1.39 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 126.135 1.774 . . . . 0.0 106.739 163.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -46.64 -34.19 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 C-N-CA 129.133 2.973 . . . . 0.0 114.003 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -66.48 -12.88 59.63 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.087 0.858 . . . . 0.0 113.297 -169.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -151.87 -6.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -94.2 159.39 15.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.719 1.145 . . . . 0.0 110.636 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 124.827 1.251 . . . . 0.0 112.557 -164.838 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 N--CA 1.462 0.138 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.85 78.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.022 0.929 . . . . 0.0 111.472 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.04 -10.09 57.51 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.4 ' C ' ' H ' ' A' ' 6' ' ' ARG . 19.2 m-85 -104.89 -22.83 13.09 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.811 0.845 . . . . 0.0 111.588 170.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -75.71 44.23 0.28 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 110.446 168.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 4' ' ' PHE . 5.8 mmp_? -86.37 174.87 8.74 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 128.704 2.802 . . . . 0.0 110.371 169.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -67.84 -12.35 60.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 m -60.99 -9.05 3.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.279 2.232 . . . . 0.0 116.046 -166.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.04 -120.02 1.11 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.7 -2.16 . . . . 0.0 107.7 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.78 153.68 7.44 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 121.247 2.524 . . . . 0.0 111.581 5.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -128.0 88.54 2.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 146.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.15 -13.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.966 1.706 . . . . 0.0 112.658 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.82 -18.32 54.9 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.455 171.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -90.52 -26.49 19.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 120.469 1.486 . . . . 0.0 112.884 167.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -71.09 -47.67 56.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.213 0.915 . . . . 0.0 110.507 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 N--CA 1.453 -0.288 0 C-N-CA 125.47 1.508 . . . . 0.0 109.36 -171.297 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -40.8 -58.46 1.66 Allowed 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.527 1.931 . . . . 0.0 114.777 -163.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.44 -37.55 57.14 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.995 1.318 . . . . 0.0 114.199 -170.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -109.35 -11.4 14.86 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.891 1.277 . . . . 0.0 112.99 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -79.05 65.96 4.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 107.411 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.22 149.75 22.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.132 1.773 . . . . 0.0 111.002 -168.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.3 -12.31 56.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.257 1.423 . . . . 0.0 111.506 174.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -57.22 -12.17 2.16 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.828 1.251 . . . . 0.0 114.014 -173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.37 -102.1 2.72 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 106.549 -2.62 . . . . 0.0 106.549 168.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.94 162.54 6.01 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 121.744 2.772 . . . . 0.0 111.098 0.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.72 77.95 1.39 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 154.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.04 -18.56 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 127.451 2.3 . . . . 0.0 114.757 -162.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -65.52 -11.87 47.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.489 1.041 . . . . 0.0 113.735 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -88.46 -5.71 58.08 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 116.714 -1.613 . . . . 0.0 113.557 173.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -106.59 156.58 18.45 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 121.161 1.801 . . . . 0.0 112.6 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? . . . . . 0 CA--C 1.535 0.395 0 C-N-CA 129.212 3.005 . . . . 0.0 112.195 -176.644 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.91 -50.17 19.25 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.796 2.039 . . . . 0.0 112.769 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -63.17 -11.9 24.03 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.57 -17.35 13.44 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 125.46 1.504 . . . . 0.0 111.856 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -76.51 46.58 0.44 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.863 0.865 . . . . 0.0 110.516 164.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -86.88 159.42 19.06 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 127.197 2.199 . . . . 0.0 108.946 170.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.56 -18.6 62.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.076 0.95 . . . . 0.0 112.758 165.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m -79.93 22.95 0.47 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -165.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.77 -124.7 2.08 Favored Glycine 0 C--N 1.341 0.831 0 N-CA-C 108.205 -1.958 . . . . 0.0 108.205 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.17 151.44 4.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.23 2.612 . . . . 0.0 111.097 -1.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -130.76 100.81 5.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 138.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.83 -17.35 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.502 1.921 . . . . 0.0 111.829 -177.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -61.96 -26.65 68.33 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.66 -0.686 . . . . 0.0 111.042 172.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -95.32 -13.3 24.9 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.034 -0.984 . . . . 0.0 113.604 171.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -60.43 -37.62 81.49 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.851 1.205 . . . . 0.0 109.882 158.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 CA--C 1.532 0.274 0 C-N-CA 126.623 1.969 . . . . 0.0 112.427 173.68 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.816 0.341 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.81 -97.16 0.16 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.085 0.954 . . . . 0.0 109.501 -177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -47.33 -46.11 25.14 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -153.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -93.75 -24.3 17.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.49 -0.766 . . . . 0.0 111.984 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.09 60.15 5.34 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 122.521 1.153 . . . . 0.0 108.897 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -84.95 159.84 20.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 128.043 2.537 . . . . 0.0 110.081 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.93 -39.07 72.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.131 1.372 . . . . 0.0 113.057 -174.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -84.94 139.42 31.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.976 0.91 . . . . 0.0 109.931 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.73 -127.65 2.42 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 105.356 -3.098 . . . . 0.0 105.356 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 153.29 5.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 129.252 3.021 . . . . 0.0 110.017 -5.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.94 69.12 1.36 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 125.143 1.377 . . . . 0.0 107.738 156.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.3 t -40.19 -40.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.233 0 C-N-CA 129.836 3.255 . . . . 0.0 113.707 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -79.79 4.04 17.64 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -166.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -152.81 -1.24 0.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 150.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.13 140.46 33.79 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 120.341 1.428 . . . . 0.0 109.799 162.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt . . . . . 0 CA--C 1.536 0.427 0 C-N-CA 126.114 1.766 . . . . 0.0 112.123 -176.064 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.77 -21.47 62.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.438 0.695 . . . . 0.0 112.778 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -138.1 -39.51 0.54 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.942 -143.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -99.92 -24.42 14.65 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 113.594 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -78.73 63.65 3.54 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 109.097 173.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -98.32 141.86 30.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.732 2.013 . . . . 0.0 110.193 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.78 -35.12 72.43 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 119.116 -0.469 . . . . 0.0 111.615 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -72.19 7.32 1.75 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.95 -124.89 5.46 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 105.279 -3.128 . . . . 0.0 105.279 158.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.67 157.34 2.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 128.784 2.834 . . . . 0.0 108.837 -1.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -131.55 88.58 2.59 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 146.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.73 -18.6 19.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 125.378 1.471 . . . . 0.0 111.721 -175.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -69.01 -16.0 63.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 117.742 -1.123 . . . . 0.0 113.185 -173.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -90.11 -21.89 22.05 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.328 0.967 . . . . 0.0 112.368 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -86.87 -30.67 21.25 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.137 0.975 . . . . 0.0 111.713 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt . . . . . 0 N--CA 1.455 -0.218 0 C-N-CA 125.167 1.387 . . . . 0.0 110.533 175.614 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.531 0.233 0 CA-C-O 121.521 0.677 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.9 2.13 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 127.78 2.432 . . . . 0.0 114.438 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -63.72 -20.63 65.89 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -114.15 6.3 16.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.53 1.059 . . . . 0.0 112.355 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -79.0 48.83 0.88 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.124 1.37 . . . . 0.0 109.597 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -109.83 169.14 8.91 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 125.736 1.615 . . . . 0.0 113.09 -158.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -62.39 -20.64 64.65 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.993 1.317 . . . . 0.0 112.576 165.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -67.67 7.64 0.47 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.11 2.164 . . . . 0.0 115.65 -164.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.0 -106.95 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 107.484 -2.246 . . . . 0.0 107.484 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.49 149.35 9.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 120.954 2.377 . . . . 0.0 111.375 -7.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -124.12 121.83 36.22 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 132.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -86.7 -22.8 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.968 1.307 . . . . 0.0 110.414 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -62.38 -29.1 70.23 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -156.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -140.44 31.1 1.91 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.408 1.483 . . . . 0.0 110.362 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.36 160.38 21.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.042 0.937 . . . . 0.0 112.998 -170.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.224 -0.28 0 C-N-CA 123.466 0.706 . . . . 0.0 109.863 -178.781 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.15 -73.84 0.63 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.701 1.6 . . . . 0.0 111.712 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -55.33 -36.17 65.95 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -158.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -109.14 -10.86 14.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.626 1.17 . . . . 0.0 112.4 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -74.17 62.1 0.9 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.769 1.628 . . . . 0.0 108.343 167.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -103.89 149.75 24.8 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.481 1.512 . . . . 0.0 110.305 -168.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.47 -22.74 18.69 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.968 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -71.49 3.6 3.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.5 -107.18 2.19 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 104.956 -3.258 . . . . 0.0 104.956 160.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.85 144.98 1.38 Allowed 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 128.056 2.542 . . . . 0.0 108.837 -6.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -123.96 93.11 3.83 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 145.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.57 -29.83 48.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 C-N-CA 123.908 0.883 . . . . 0.0 110.6 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -67.2 -32.23 73.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -72.69 -33.03 66.22 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.156 0.889 . . . . 0.0 111.934 170.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -84.13 -38.01 21.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 125.64 1.576 . . . . 0.0 111.343 -170.741 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 118.37 -0.824 . . . . 0.0 112.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.59 54.24 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -170.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.16 -25.43 61.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.933 2.093 . . . . 0.0 113.788 174.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -122.54 -21.84 5.6 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.508 1.123 . . . . 0.0 112.693 172.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.23 49.69 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.98 1.712 . . . . 0.0 107.812 160.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -53.09 172.97 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 130.786 3.634 . . . . 0.0 111.687 172.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.32 -37.35 10.08 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.3 0.5 . . . . 0.0 110.807 170.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m -117.98 147.02 43.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.18 1.792 . . . . 0.0 109.783 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.42 -121.6 0.62 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -176.78 158.75 1.7 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 120.764 2.282 . . . . 0.0 110.515 9.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -138.6 122.35 17.58 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 118.133 -1.427 . . . . 0.0 107.172 117.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -57.01 -36.82 52.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 124.876 1.27 . . . . 0.0 110.781 -173.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -69.91 -18.82 63.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.263 -0.875 . . . . 0.0 112.988 -169.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -103.56 -2.92 25.97 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.454 -1.26 . . . . 0.0 113.713 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -94.72 155.75 16.7 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.754 1.161 . . . . 0.0 112.006 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 C--O 1.225 -0.233 0 C-N-CA 124.985 1.314 . . . . 0.0 111.329 -173.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.26 62.56 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.34 1.456 . . . . 0.0 113.921 -174.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.34 -33.48 74.79 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.224 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -97.53 -17.51 19.54 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 116.973 -1.489 . . . . 0.0 114.026 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -75.2 47.19 0.35 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.835 1.654 . . . . 0.0 110.157 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -78.57 150.79 32.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 126.782 2.033 . . . . 0.0 110.021 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.25 -26.51 68.42 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.519 1.128 . . . . 0.0 112.691 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 m -75.11 -1.91 25.17 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -165.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.33 -124.36 2.99 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 107.545 -2.222 . . . . 0.0 107.545 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.68 151.26 9.1 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.977 2.511 . . . . 0.0 110.36 -1.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -130.25 82.84 2.08 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 157.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.29 -6.99 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.848 2.059 . . . . 0.0 113.35 -170.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -60.93 -19.76 61.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.462 1.028 . . . . 0.0 111.622 167.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -84.11 0.83 46.88 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -127.21 -43.08 1.66 Allowed 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 112.518 -173.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt . . . . . 0 CA--C 1.531 0.229 0 C-N-CA 125.607 1.563 . . . . 0.0 109.848 -178.169 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--O 1.225 -0.227 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.06 -41.82 2.7 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 127.982 2.513 . . . . 0.0 114.177 -170.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.77 -35.38 61.24 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 117.404 -1.284 . . . . 0.0 113.863 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -112.96 -19.88 11.76 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.652 1.115 . . . . 0.0 112.198 172.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.89 50.25 0.99 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.9 1.68 . . . . 0.0 108.824 164.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -61.49 155.4 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 129.869 3.268 . . . . 0.0 110.374 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.12 -19.78 12.92 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.878 1.271 . . . . 0.0 113.265 -169.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -80.21 82.17 6.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.124 0.875 . . . . 0.0 110.19 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.12 -109.54 0.28 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.43 161.9 19.07 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 128.795 2.838 . . . . 0.0 110.044 -9.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.2 86.09 1.35 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 155.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.91 -26.7 36.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 126.427 1.891 . . . . 0.0 113.809 -162.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -60.82 -20.94 62.6 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.945 1.248 . . . . 0.0 113.129 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.37 1.46 51.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.885 1.274 . . . . 0.0 112.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -149.77 175.54 11.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.174 1.389 . . . . 0.0 110.66 -158.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 123.609 0.764 . . . . 0.0 112.203 173.264 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -36.53 -59.69 0.64 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 127.253 2.221 . . . . 0.0 114.932 -159.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.52 -37.12 16.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.922 1.689 . . . . 0.0 115.017 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -112.8 -12.6 13.31 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.444 1.098 . . . . 0.0 112.93 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.08 60.89 3.75 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.107 1.763 . . . . 0.0 109.358 168.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -85.79 151.39 23.86 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.589 1.956 . . . . 0.0 110.561 -171.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.56 -9.04 55.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.574 1.949 . . . . 0.0 112.685 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -65.59 -11.5 44.78 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.17 -108.04 1.59 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.39 162.53 10.34 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 127.605 2.362 . . . . 0.0 109.438 6.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -139.1 83.84 1.97 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 151.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.55 -20.59 19.01 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 126.017 1.727 . . . . 0.0 112.364 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -62.08 -24.42 67.1 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 120.433 1.47 . . . . 0.0 112.476 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.5 -27.1 21.68 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.648 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -61.63 -48.7 79.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.674 1.124 . . . . 0.0 108.839 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 N--CA 1.449 -0.488 0 C-N-CA 124.888 1.275 . . . . 0.0 109.445 172.275 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.28 -22.3 4.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.216 1.806 . . . . 0.0 115.395 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.88 -41.91 98.43 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.124 0.874 . . . . 0.0 111.318 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.23 -8.28 7.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.475 1.11 . . . . 0.0 113.5 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -80.27 77.8 6.99 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.271 1.428 . . . . 0.0 108.175 167.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -122.92 166.02 15.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.731 2.012 . . . . 0.0 111.634 -160.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.42 -18.08 64.36 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.908 1.283 . . . . 0.0 112.034 164.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.9 m -63.12 -3.45 1.77 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 127.404 2.281 . . . . 0.0 116.575 -161.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.18 -99.31 0.86 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 106.497 -2.641 . . . . 0.0 106.497 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.79 159.53 18.65 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 120.164 1.982 . . . . 0.0 111.857 -3.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -151.02 75.46 1.2 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 147.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -39.68 -44.27 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 128.272 2.629 . . . . 0.0 114.226 -160.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -59.66 -22.56 62.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.762 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -153.08 -0.25 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -125.57 156.82 38.51 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 120.424 1.465 . . . . 0.0 111.728 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt . . . . . 0 C--O 1.223 -0.295 0 C-N-CA 127.679 2.392 . . . . 0.0 112.078 -168.066 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--O 1.224 -0.254 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.28 83.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.316 0.962 . . . . 0.0 112.336 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.29 -9.29 46.59 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.434 1.494 . . . . 0.0 114.714 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' C ' ' H ' ' A' ' 6' ' ' ARG . 19.6 m-85 -111.59 -21.58 11.66 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 124.152 0.981 . . . . 0.0 112.575 170.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 46.06 0.36 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.996 1.718 . . . . 0.0 109.267 166.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.434 ' H ' ' C ' ' A' ' 4' ' ' PHE . 5.4 mmp_? -70.68 179.95 2.4 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.055 2.542 . . . . 0.0 110.048 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.19 -46.68 82.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.7 m -147.79 152.01 36.98 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 124.531 1.132 . . . . 0.0 111.983 -165.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.02 -120.52 0.92 Allowed Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 106.705 -2.558 . . . . 0.0 106.705 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.31 156.69 7.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.98 2.912 . . . . 0.0 109.152 -8.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -134.52 91.95 2.85 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 143.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.96 -18.76 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.855 2.062 . . . . 0.0 113.599 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -57.56 -38.71 75.25 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.009 0.924 . . . . 0.0 110.947 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.579 ' CE1' HE21 ' B' ' 15' ' ' GLN . 63.5 m-70 -83.99 -16.6 43.42 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.552 174.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.95 -41.23 68.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 120.138 1.335 . . . . 0.0 111.617 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 122.633 0.373 . . . . 0.0 110.851 172.728 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -38.59 -38.72 0.42 Allowed 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 128.556 2.742 . . . . 0.0 115.894 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.14 -34.06 59.45 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 124.886 1.274 . . . . 0.0 113.945 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -113.99 -22.59 10.0 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.317 0.962 . . . . 0.0 111.252 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -77.85 62.23 2.65 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 122.665 1.221 . . . . 0.0 108.593 161.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -74.12 132.32 42.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.862 2.465 . . . . 0.0 109.778 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -66.53 -21.54 66.16 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.998 169.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.4 m -62.3 -11.81 17.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.43 -115.55 3.88 Favored Glycine 0 C--N 1.341 0.808 0 N-CA-C 106.211 -2.756 . . . . 0.0 106.211 166.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.82 161.68 11.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 127.664 2.385 . . . . 0.0 110.806 -4.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -146.42 75.61 1.41 Allowed 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 158.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -49.24 -30.21 4.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 127.731 2.412 . . . . 0.0 113.096 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.93 -20.47 65.24 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -162.05 -11.29 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 173.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.579 HE21 ' CE1' ' A' ' 14' ' ' HIS . 18.6 mm-40 -109.78 149.53 29.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 120.438 1.472 . . . . 0.0 110.947 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttp . . . . . 0 CA--C 1.534 0.356 0 C-N-CA 124.469 1.108 . . . . 0.0 112.866 -179.543 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.8 t0 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 111.268 0.099 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.0 -52.92 8.33 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 126.646 1.979 . . . . 0.0 114.503 -161.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.73 -13.68 16.48 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 p90 -130.04 -3.33 4.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.68 1.192 . . . . 0.0 112.258 171.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -79.67 51.0 1.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.765 0.826 . . . . 0.0 108.831 155.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.55 161.2 14.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.784 2.034 . . . . 0.0 109.87 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -75.06 -21.37 59.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -69.21 0.1 5.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -167.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.29 -132.18 4.73 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 108.071 -2.012 . . . . 0.0 108.071 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.64 160.9 17.93 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.231 2.016 . . . . 0.0 111.816 5.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -138.42 100.72 4.18 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 136.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.82 -26.18 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 125.686 1.594 . . . . 0.0 110.997 -174.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -59.43 -40.25 86.12 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.648 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -81.21 -37.84 27.98 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 120.023 1.283 . . . . 0.0 112.179 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.21 -35.26 73.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HE3' ' CG ' ' A' ' 4' ' ' PHE . 71.6 mmtt . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 122.898 0.479 . . . . 0.0 111.366 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.27 0.081 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.51 84.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.919 0.887 . . . . 0.0 111.523 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -57.26 -18.3 15.72 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.368 1.867 . . . . 0.0 114.506 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -113.71 -13.76 12.65 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 124.328 1.051 . . . . 0.0 113.692 174.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -79.19 55.84 1.92 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.515 1.126 . . . . 0.0 108.887 167.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -91.59 -11.17 37.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.45 1.5 . . . . 0.0 113.697 -171.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -173.17 164.78 4.85 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.51 0.724 . . . . 0.0 110.743 -161.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.1 m -57.72 130.04 44.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.657 0.383 . . . . 0.0 109.975 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.06 -126.53 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.83 162.21 39.71 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 128.185 2.594 . . . . 0.0 109.073 -7.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -143.82 71.45 1.32 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 159.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.22 -19.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.269 0 C-N-CA 127.277 2.231 . . . . 0.0 114.206 -166.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -59.78 -19.49 50.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.681 1.128 . . . . 0.0 113.097 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.9 -29.49 17.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 120.77 1.623 . . . . 0.0 112.923 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -68.88 -43.22 75.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.479 1.112 . . . . 0.0 110.703 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 tttp . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 127.428 2.291 . . . . 0.0 113.621 -168.747 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.224 -0.253 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.43 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 123.795 0.838 . . . . 0.0 113.161 -158.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.52 -21.82 53.44 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 173.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' C ' ' H ' ' A' ' 6' ' ' ARG . 10.6 m-85 -100.33 -16.71 17.57 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 125.266 1.427 . . . . 0.0 112.952 176.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -70.94 21.92 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.618 1.167 . . . . 0.0 112.556 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 4' ' ' PHE . 3.6 mmp_? -72.6 159.75 33.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.519 1.927 . . . . 0.0 109.946 173.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -70.09 -24.83 63.28 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.248 1.419 . . . . 0.0 113.136 171.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.8 m -78.46 62.1 3.0 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.317 1.447 . . . . 0.0 112.924 -169.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.38 -123.16 0.69 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 168.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.21 149.56 5.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 120.759 2.28 . . . . 0.0 111.387 1.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -131.78 88.66 2.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.618 -1.174 . . . . 0.0 107.883 149.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.59 -20.47 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 127.106 2.163 . . . . 0.0 113.523 -170.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.99 -39.23 88.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.951 0.796 . . . . 0.0 110.737 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -74.09 -26.18 60.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 118.276 -0.868 . . . . 0.0 112.11 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -68.89 -43.22 75.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 118.925 0.784 . . . . 0.0 111.134 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt . . . . . 0 C--O 1.223 -0.309 0 C-N-CA 125.549 1.54 . . . . 0.0 112.474 -175.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -39.88 -42.5 1.33 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.654 1.981 . . . . 0.0 111.545 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.1 -23.39 54.66 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 125.363 1.465 . . . . 0.0 113.851 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.404 ' C ' ' H ' ' B' ' 6' ' ' ARG . 28.0 m-85 -102.25 -13.11 17.52 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.695 1.134 . . . . 0.0 112.651 174.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -76.3 27.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.734 0.814 . . . . 0.0 111.957 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' B' ' 4' ' ' PHE . 2.9 mmp_? -73.83 155.99 38.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.308 1.843 . . . . 0.0 110.646 174.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.23 -13.78 60.87 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.394 0.678 . . . . 0.0 112.665 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -64.55 -14.12 55.99 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -163.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.23 -127.16 2.99 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 107.401 -2.28 . . . . 0.0 107.401 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.9 155.36 3.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.988 2.394 . . . . 0.0 111.279 13.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -133.53 93.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 106.025 -1.842 . . . . 0.0 106.025 150.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.13 -36.3 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.992 1.317 . . . . 0.0 111.727 -170.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -69.4 -20.09 63.81 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -164.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -145.86 53.13 1.15 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 164.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -55.25 163.12 1.22 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.659 1.583 . . . . 0.0 112.285 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 mttt . . . . . 0 N--CA 1.455 -0.179 0 C-N-CA 123.761 0.825 . . . . 0.0 111.811 178.482 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.09 -47.55 45.1 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 126.331 1.852 . . . . 0.0 113.209 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.86 -4.8 13.86 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 6' ' ' ARG . 23.8 m-85 -111.47 -15.75 13.46 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.674 1.19 . . . . 0.0 112.34 170.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -74.05 35.82 0.09 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.507 1.049 . . . . 0.0 111.203 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 4' ' ' PHE . 2.4 mmp_? -82.07 165.55 20.51 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.653 1.981 . . . . 0.0 111.835 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -77.26 -29.2 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.444 0.698 . . . . 0.0 112.725 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 m -86.51 64.01 8.3 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.849 0.749 . . . . 0.0 111.864 -173.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.17 -130.67 1.2 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 172.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 144.21 6.27 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.644 2.377 . . . . 0.0 110.135 -1.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -127.52 78.82 1.85 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 156.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -49.09 -39.04 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 C-N-CA 128.352 2.661 . . . . 0.0 114.958 -159.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -66.0 -25.55 67.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.857 -170.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -73.02 -10.7 60.08 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 117.935 -1.031 . . . . 0.0 113.677 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -30.02 69.96 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.885 1.22 . . . . 0.0 112.084 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt . . . . . 0 C--O 1.222 -0.363 0 C-N-CA 124.746 1.218 . . . . 0.0 112.988 171.555 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.79 -44.93 66.94 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.763 1.225 . . . . 0.0 113.913 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -55.87 -35.33 66.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -167.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -106.95 -4.58 18.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 118.137 -0.935 . . . . 0.0 113.304 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 tpp85 -71.06 79.55 0.67 Allowed 'General case' 0 C--N 1.347 0.457 0 C-N-CA 125.044 1.338 . . . . 0.0 108.475 161.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -122.57 157.95 30.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.033 1.733 . . . . 0.0 110.956 -168.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.63 -31.49 28.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.585 0.754 . . . . 0.0 112.854 -176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m -80.44 76.36 7.27 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.732 0.813 . . . . 0.0 112.133 -166.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.03 -103.62 0.17 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 107.032 -2.427 . . . . 0.0 107.032 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.8 156.54 6.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.022 2.529 . . . . 0.0 110.547 -10.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -138.49 96.39 3.16 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.639 135.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 t -60.54 -32.07 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.633 0.773 . . . . 0.0 111.862 -169.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -62.77 -14.77 48.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -165.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.49 -10.38 27.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -96.8 165.59 12.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 121.485 1.948 . . . . 0.0 112.767 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--O 1.225 -0.191 0 C-N-CA 126.319 1.848 . . . . 0.0 110.808 174.702 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -137.21 149.47 47.22 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.331 1.052 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.27 77.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -155.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -27.0 67.34 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -116.72 -11.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.523 1.129 . . . . 0.0 113.646 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -73.96 70.48 1.5 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 122.619 1.199 . . . . 0.0 108.557 159.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -105.61 147.99 27.82 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 127.486 2.314 . . . . 0.0 107.756 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.8 -20.11 53.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.363 1.865 . . . . 0.0 111.598 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 m -84.02 12.92 5.56 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.072 1.349 . . . . 0.0 113.825 -165.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -122.57 3.41 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 104.651 -3.38 . . . . 0.0 104.651 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.92 156.81 9.41 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.895 2.478 . . . . 0.0 109.427 -4.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.1 102.68 7.07 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 135.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.87 -17.92 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 125.437 1.495 . . . . 0.0 113.079 -172.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -61.15 -19.02 61.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.13 4.23 36.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.752 1.221 . . . . 0.0 113.549 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -122.38 169.53 10.86 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.392 1.477 . . . . 0.0 112.005 167.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -115.8 -36.61 4.13 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.252 -164.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 O-C-N 121.141 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -95.0 159.88 14.82 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.422 1.089 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.8 -33.68 50.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 126.245 1.818 . . . . 0.0 114.858 -167.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -67.95 -33.83 75.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.333 1.053 . . . . 0.0 111.597 -171.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -119.04 -2.45 10.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.414 1.485 . . . . 0.0 114.682 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -74.01 77.11 1.7 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.992 1.317 . . . . 0.0 108.245 153.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -123.3 152.02 41.83 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.108 2.563 . . . . 0.0 109.345 -173.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.96 -7.91 56.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.668 0.787 . . . . 0.0 112.922 166.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -76.33 15.14 0.63 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.786 1.635 . . . . 0.0 114.125 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.406 ' HA3' ' CG ' ' B' ' 10' ' ' TYR . . . -133.47 -108.5 1.07 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 105.2 -3.16 . . . . 0.0 105.2 170.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.406 ' CG ' ' HA3' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -174.72 152.99 1.69 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.213 2.605 . . . . 0.0 109.646 -4.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -140.86 82.75 1.86 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 154.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -55.79 -25.47 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 C-N-CA 127.663 2.385 . . . . 0.0 112.678 -161.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -63.34 -20.09 65.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.682 0.614 . . . . 0.0 112.572 -167.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -150.57 10.5 0.65 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 169.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.62 161.79 13.36 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.802 1.241 . . . . 0.0 110.507 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -140.09 166.5 24.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.813 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.786 -0.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -68.31 149.91 48.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.324 0.65 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.85 62.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.056 1.342 . . . . 0.0 111.812 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.67 -13.2 61.67 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -105.76 -21.27 13.21 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.598 1.09 . . . . 0.0 112.507 173.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -75.67 63.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.2 1.0 . . . . 0.0 109.079 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -98.88 154.38 18.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.859 2.464 . . . . 0.0 109.973 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.55 -41.93 96.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 112.329 171.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.8 m -83.69 67.67 9.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.385 1.474 . . . . 0.0 112.015 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.96 -137.37 2.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.26 156.49 5.79 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.759 3.223 . . . . 0.0 107.31 -1.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -136.81 100.2 4.25 Favored 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 147.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.5 -15.13 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.351 1.46 . . . . 0.0 112.956 -166.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -58.03 -24.96 60.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -100.33 6.92 44.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.942 0.897 . . . . 0.0 112.648 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -78.47 -77.75 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.359 0.981 . . . . 0.0 110.214 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -75.52 -24.73 56.84 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -170.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 119.399 0.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -112.04 -16.16 13.13 Favored 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 126.39 1.876 . . . . 0.0 113.558 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.74 -37.75 6.27 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.02 1.728 . . . . 0.0 113.773 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -54.7 -34.92 63.04 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 126.014 1.725 . . . . 0.0 113.723 -177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -109.72 -16.13 13.98 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.917 172.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mmm-85 -81.76 52.37 1.9 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 122.302 1.048 . . . . 0.0 109.843 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.48 152.54 43.9 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.365 2.666 . . . . 0.0 109.888 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -63.8 -40.11 95.86 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.402 1.081 . . . . 0.0 113.256 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.9 m -84.95 121.16 27.36 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.84 0.856 . . . . 0.0 109.16 -167.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.85 -134.86 4.07 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 107.655 -2.178 . . . . 0.0 107.655 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.05 147.43 5.58 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.614 2.365 . . . . 0.0 110.265 -3.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -134.24 74.31 1.53 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.614 1.166 . . . . 0.0 108.062 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.18 -27.66 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 128.083 2.553 . . . . 0.0 114.747 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.04 -11.26 56.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -82.59 -20.56 36.24 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.95 146.45 35.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 119.509 1.05 . . . . 0.0 113.275 -158.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -130.24 -4.05 4.4 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.122 2.169 . . . . 0.0 111.491 -169.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.011 0 O-C-N 121.017 -1.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.006 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.18 169.53 2.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.725 1.61 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.95 -38.61 76.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.48 1.112 . . . . 0.0 113.446 -169.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.16 -11.32 8.56 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.211 1.804 . . . . 0.0 114.776 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' C ' ' H ' ' A' ' 6' ' ' ARG . 61.4 m-85 -107.7 -26.87 10.63 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 125.194 1.398 . . . . 0.0 112.085 172.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -67.73 17.87 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 113.085 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.6 mmp_? -53.11 141.7 22.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 126.517 1.927 . . . . 0.0 111.193 170.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.47 -20.75 65.52 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.457 1.103 . . . . 0.0 111.176 167.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -63.29 -0.82 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.291 1.836 . . . . 0.0 114.888 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 -120.99 2.58 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 107.317 -2.313 . . . . 0.0 107.317 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.54 145.46 1.59 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 120.894 2.347 . . . . 0.0 111.229 2.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -129.07 82.45 2.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 152.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.57 -26.78 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 128.618 2.767 . . . . 0.0 113.694 -166.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -54.25 -28.71 43.24 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -91.58 1.56 57.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.379 1.445 . . . . 0.0 114.506 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -135.46 -67.65 0.53 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.591 1.156 . . . . 0.0 109.074 -174.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.291 0.1 OUTLIER 56.43 6.05 0.24 Allowed 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 127.766 2.426 . . . . 0.0 114.574 174.537 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 120.714 1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.7 154.37 5.07 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.162 2.185 . . . . 0.0 113.289 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.95 -42.59 59.88 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 125.973 1.709 . . . . 0.0 113.121 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.37 -17.01 51.97 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -106.27 -12.45 15.7 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.461 1.504 . . . . 0.0 112.603 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -76.05 51.22 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.044 1.338 . . . . 0.0 110.33 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.79 172.53 8.57 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.829 2.452 . . . . 0.0 110.742 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -71.72 -33.0 68.36 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -168.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -115.06 129.62 56.74 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.497 1.044 . . . . 0.0 113.24 -171.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.19 -129.34 2.43 Favored Glycine 0 CA--C 1.533 1.16 0 N-CA-C 105.951 -2.859 . . . . 0.0 105.951 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.44 ' HH ' ' CD ' ' B' ' 15' ' ' GLN . 0.1 OUTLIER -175.81 145.4 0.68 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 122.276 3.038 . . . . 0.0 110.184 -1.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -128.07 107.3 9.7 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 140.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.67 -18.45 23.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 125.934 1.693 . . . . 0.0 113.012 -168.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -62.47 -23.64 67.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.097 -0.477 . . . . 0.0 111.556 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -91.97 -13.84 30.45 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.221 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.44 ' CD ' ' HH ' ' B' ' 10' ' ' TYR . 41.5 tp60 -55.83 -34.62 65.56 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 119.591 1.087 . . . . 0.0 111.836 173.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -130.49 168.96 16.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.969 1.708 . . . . 0.0 109.589 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 120.745 -1.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.52 117.36 5.19 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 123.606 0.762 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.66 93.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.898 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.34 -23.58 49.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.15 0.98 . . . . 0.0 112.893 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -96.96 -17.75 19.89 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 18.62 0.13 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.925 1.238 . . . . 0.0 113.636 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.09 162.91 25.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.178 2.191 . . . . 0.0 113.958 -165.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.92 -14.83 17.47 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.299 1.44 . . . . 0.0 112.661 165.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -61.9 -2.64 0.92 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.491 2.316 . . . . 0.0 114.436 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.83 -118.17 0.95 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 106.674 -2.571 . . . . 0.0 106.674 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.82 146.04 5.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.903 2.352 . . . . 0.0 112.141 3.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.19 89.93 2.57 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 150.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -53.92 -26.07 13.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 126.205 1.802 . . . . 0.0 112.076 -166.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -66.72 -13.82 61.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.22 -3.4 56.98 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.597 1.09 . . . . 0.0 113.176 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -122.66 -32.09 3.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.62 1.168 . . . . 0.0 110.93 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -130.1 166.26 20.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.885 1.674 . . . . 0.0 109.377 170.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 O-C-N 121.309 -0.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.448 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.0 162.7 25.76 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.888 1.675 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.43 86.95 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.605 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.44 -9.19 23.46 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -102.55 -25.77 13.47 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 116.871 -1.538 . . . . 0.0 113.6 171.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -71.22 45.94 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.724 1.61 . . . . 0.0 111.089 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.31 162.52 14.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.763 2.825 . . . . 0.0 110.683 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.22 -27.64 63.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.151 0.98 . . . . 0.0 112.72 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.9 m -72.88 94.82 1.87 Allowed 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 123.658 0.783 . . . . 0.0 110.852 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.5 -121.77 1.44 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 104.524 -3.43 . . . . 0.0 104.524 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.89 4.94 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.832 2.453 . . . . 0.0 109.978 -9.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.37 92.78 3.23 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 147.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.9 t -55.9 -19.71 7.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 126.215 1.806 . . . . 0.0 112.9 -170.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -56.21 -20.63 18.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 124.921 1.288 . . . . 0.0 113.904 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -109.57 6.1 23.67 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 120.06 1.3 . . . . 0.0 113.138 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -59.11 -38.31 79.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 120.21 1.368 . . . . 0.0 113.455 -169.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -65.93 -22.76 66.51 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.122 2.169 . . . . 0.0 112.895 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.116 0 CA-C-N 119.594 1.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.144 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.85 151.73 31.69 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.635 0.774 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.21 -40.16 73.6 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.42 1.488 . . . . 0.0 112.139 -175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.21 -21.14 21.38 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.875 -1.536 . . . . 0.0 113.71 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -102.07 -13.03 17.68 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.261 1.424 . . . . 0.0 113.494 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -74.22 43.39 0.17 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.714 1.206 . . . . 0.0 110.892 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.9 152.6 20.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.746 2.018 . . . . 0.0 112.053 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.75 -13.37 32.0 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -54.38 -13.99 1.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 127.247 2.219 . . . . 0.0 115.299 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -129.78 1.83 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.03 153.04 4.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.624 2.212 . . . . 0.0 111.483 11.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -134.3 71.21 1.45 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.458 1.503 . . . . 0.0 107.8 161.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.11 -24.96 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 129.637 3.175 . . . . 0.0 115.204 -165.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -73.54 -4.87 36.6 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.262 0.937 . . . . 0.0 112.352 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -89.46 -1.48 58.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.364 1.438 . . . . 0.0 113.524 163.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -131.47 163.18 28.53 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 125.374 1.47 . . . . 0.0 111.088 -167.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.36 -34.17 42.29 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.493 1.117 . . . . 0.0 111.81 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 118.934 0.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.58 152.68 29.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.718 0.807 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.54 -41.41 21.2 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 126.088 1.755 . . . . 0.0 114.974 -165.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.43 -27.27 69.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -117.18 -11.34 10.69 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.192 0.597 . . . . 0.0 111.758 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -78.15 81.13 4.54 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.268 1.427 . . . . 0.0 107.235 167.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -117.43 177.63 4.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.505 2.322 . . . . 0.0 110.094 -168.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -63.22 -38.28 90.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.915 0.486 . . . . 0.0 111.399 168.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -150.74 172.61 15.31 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.32 2.248 . . . . 0.0 110.764 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.87 -101.21 0.15 Allowed Glycine 0 CA--C 1.534 1.252 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.11 146.41 7.56 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.921 1.86 . . . . 0.0 112.015 -1.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.76 78.07 1.78 Allowed 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 150.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -38.57 -39.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 127.892 2.477 . . . . 0.0 112.934 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -56.94 -27.77 61.45 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 117.039 -1.458 . . . . 0.0 113.918 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -165.48 -2.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -156.31 162.28 40.11 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 121.818 2.099 . . . . 0.0 112.583 -163.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -65.48 -18.51 65.37 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 126.352 1.861 . . . . 0.0 113.286 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 119.737 1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.212 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -63.83 167.86 5.63 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 126.934 2.094 . . . . 0.0 113.47 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.98 -19.51 52.68 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 125.904 1.682 . . . . 0.0 113.75 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' C ' ' H ' ' A' ' 6' ' ' ARG . 25.9 m-85 -107.2 -17.33 14.18 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 125.357 1.463 . . . . 0.0 112.137 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -72.15 19.74 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.098 0.959 . . . . 0.0 112.339 170.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.9 mmp_? -58.41 151.15 20.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.686 1.594 . . . . 0.0 110.135 165.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.29 -26.12 68.63 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 166.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.7 m -74.98 90.9 2.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.184 0.994 . . . . 0.0 111.236 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.99 -129.48 2.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 106.117 -2.793 . . . . 0.0 106.117 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.5 155.32 17.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.67 2.788 . . . . 0.0 111.088 -6.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.29 95.19 2.96 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 141.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.33 -16.21 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 126.962 2.105 . . . . 0.0 113.353 -172.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.24 -26.72 68.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.024 0.929 . . . . 0.0 111.979 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -88.88 -11.89 43.34 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.273 1.397 . . . . 0.0 112.448 172.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -84.7 -30.08 25.08 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.175 0.99 . . . . 0.0 111.982 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -165.56 156.74 14.03 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.415 1.486 . . . . 0.0 108.941 -176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.207 -0.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -75.7 -32.97 60.32 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.61 -46.82 40.11 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 124.482 1.113 . . . . 0.0 112.196 -164.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.01 -22.78 61.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 116.158 1.911 . . . . 0.0 116.158 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -116.53 -18.19 10.44 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.162 0.892 . . . . 0.0 111.709 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -77.59 68.63 3.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 162.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -96.98 147.32 24.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.762 2.025 . . . . 0.0 109.892 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -64.5 -16.43 62.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.848 0.859 . . . . 0.0 112.01 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -64.45 4.57 0.36 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.156 2.982 . . . . 0.0 114.676 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.46 -111.4 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 105.888 -2.885 . . . . 0.0 105.888 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.0 145.06 2.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 120.814 2.307 . . . . 0.0 108.971 -2.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.62 71.39 1.47 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 158.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 t -42.62 -38.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 128.634 2.774 . . . . 0.0 113.263 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -65.92 -20.13 66.11 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 117.371 -1.3 . . . . 0.0 113.877 -164.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -140.63 4.55 1.95 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.617 1.098 . . . . 0.0 112.469 164.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.09 -158.9 0.4 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.662 0.785 . . . . 0.0 109.38 161.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -69.3 1.74 3.54 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -173.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.032 0 CA-C-N 120.417 1.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -81.28 174.09 11.86 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.032 1.333 . . . . 0.0 112.795 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.72 87.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.987 1.715 . . . . 0.0 113.405 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.79 -14.3 8.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.811 2.045 . . . . 0.0 114.548 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.88 -11.35 14.69 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 124.368 1.067 . . . . 0.0 112.727 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.75 31.75 0.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.6 1.091 . . . . 0.0 112.08 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -83.86 161.98 20.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 128.095 2.558 . . . . 0.0 111.487 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.67 -17.76 64.7 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.791 -0.568 . . . . 0.0 111.811 164.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 m -65.9 13.57 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.401 2.28 . . . . 0.0 115.541 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.37 -120.05 1.09 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 167.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.16 149.95 2.93 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 120.422 2.111 . . . . 0.0 110.691 4.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.71 90.14 2.67 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 152.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.75 -20.62 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 128.02 2.528 . . . . 0.0 113.994 -167.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.18 -17.38 64.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.419 -0.8 . . . . 0.0 111.119 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -99.3 -9.08 24.04 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.792 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -58.42 -41.75 85.72 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.532 1.06 . . . . 0.0 108.912 155.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -78.4 -7.1 56.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.72 2.008 . . . . 0.0 112.153 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.02 0 O-C-N 120.692 -1.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.232 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -91.91 148.47 22.19 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.38 73.82 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 125.324 1.45 . . . . 0.0 113.318 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.56 -25.13 62.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.118 1.367 . . . . 0.0 113.593 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' B' ' 6' ' ' ARG . 26.8 m-85 -96.55 -16.91 20.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 117.8 -1.095 . . . . 0.0 112.076 174.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -74.9 32.59 0.1 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.564 1.146 . . . . 0.0 112.278 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' B' ' 4' ' ' PHE . 4.6 mmp_? -83.67 157.69 22.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.416 1.886 . . . . 0.0 109.972 174.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.97 -12.53 55.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.086 1.354 . . . . 0.0 112.806 167.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -78.13 59.93 2.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 112.875 -165.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.19 -115.73 0.52 Allowed Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 106.917 -2.473 . . . . 0.0 106.917 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.64 156.42 6.51 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 127.84 2.456 . . . . 0.0 109.341 -0.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -133.21 114.97 14.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 131.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.28 -16.67 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.623 1.169 . . . . 0.0 113.213 -163.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -64.05 -14.81 57.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -139.62 -71.84 0.39 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 119.334 0.97 . . . . 0.0 112.103 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -159.42 161.76 35.61 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 122.333 1.063 . . . . 0.0 112.581 -153.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.08 -30.98 27.57 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.439 1.096 . . . . 0.0 112.814 -175.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 118.987 0.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.301 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -69.99 151.58 45.41 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.84 0.856 . . . . 0.0 111.91 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.53 -44.76 69.45 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 125.753 1.621 . . . . 0.0 113.407 -171.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.65 -16.3 37.49 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' A' ' 6' ' ' ARG . 55.3 m-85 -105.17 -11.73 16.43 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.374 0.988 . . . . 0.0 113.055 176.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -71.51 18.72 0.07 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.345 0.975 . . . . 0.0 112.477 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 4' ' ' PHE . 3.4 mmp_? -68.49 170.49 8.98 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.567 1.947 . . . . 0.0 111.598 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.62 -14.01 17.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.516 1.526 . . . . 0.0 114.227 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 m -69.96 -8.32 47.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -166.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.67 -117.66 0.98 Allowed Glycine 0 C--N 1.343 0.958 0 CA-C-N 120.38 1.445 . . . . 0.0 109.744 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.54 147.21 8.78 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 128.256 2.623 . . . . 0.0 110.386 -5.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.43 101.55 6.74 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 141.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.61 -25.97 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 124.78 1.232 . . . . 0.0 112.038 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -65.16 -12.75 54.45 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -166.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -114.79 12.65 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.499 1.045 . . . . 0.0 112.943 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -135.11 -68.6 0.52 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 120.299 1.409 . . . . 0.0 112.403 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -117.66 155.99 28.95 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 118.54 0.609 . . . . 0.0 111.455 -168.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.605 -0.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -68.05 146.38 53.55 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.819 0.848 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.25 29.61 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 126.653 1.981 . . . . 0.0 114.215 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.86 -34.24 12.21 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.804 2.042 . . . . 0.0 114.438 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -117.44 -8.56 11.0 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.573 1.149 . . . . 0.0 112.759 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.457 ' HE ' ' CG1' ' B' ' 12' ' ' VAL . 20.4 tpp85 -80.7 57.5 2.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.678 1.591 . . . . 0.0 108.424 166.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -88.15 158.79 18.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.464 2.305 . . . . 0.0 110.82 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.73 -11.34 59.07 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.463 0.705 . . . . 0.0 112.619 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.0 m -73.85 36.51 0.09 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.613 1.965 . . . . 0.0 114.307 -170.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.81 -110.27 0.23 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 105.74 -2.944 . . . . 0.0 105.74 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.54 158.15 9.26 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 121.007 2.403 . . . . 0.0 111.373 1.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -140.7 61.45 1.51 Allowed 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.245 1.418 . . . . 0.0 107.72 166.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.457 ' CG1' ' HE ' ' B' ' 5' ' ' ARG . 94.7 t -54.91 -20.6 6.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 112.612 -173.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.2 -13.75 41.19 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -141.24 1.71 1.63 Allowed 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 156.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -93.44 167.59 11.61 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.654 1.115 . . . . 0.0 110.545 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -79.59 13.95 1.84 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.168 0.987 . . . . 0.0 112.977 -171.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 O-C-N 120.298 -1.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.53 160.69 15.52 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.291 1.036 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.23 71.1 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.841 1.256 . . . . 0.0 113.141 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.54 -17.6 62.97 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.302 1.441 . . . . 0.0 113.292 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' C ' ' H ' ' A' ' 6' ' ' ARG . 23.0 m-85 -102.45 -18.16 15.47 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.941 1.296 . . . . 0.0 112.472 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -72.94 37.31 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.827 1.194 . . . . 0.0 112.06 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.0 mmp_? -82.61 167.43 18.31 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.319 2.247 . . . . 0.0 110.581 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -77.37 -34.19 55.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.163 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -81.14 10.67 4.99 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -159.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.29 -122.28 3.4 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 105.907 -2.877 . . . . 0.0 105.907 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.36 152.5 7.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 127.912 2.485 . . . . 0.0 110.614 0.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -139.23 75.46 1.52 Allowed 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 113.638 -1.619 . . . . 0.0 106.818 155.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.14 -34.19 10.42 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 127.37 2.268 . . . . 0.0 111.899 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -60.16 -9.68 3.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.868 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -152.71 5.23 0.37 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.848 1.203 . . . . 0.0 113.923 162.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.64 -35.38 20.98 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 120.15 1.341 . . . . 0.0 112.691 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -153.81 -17.7 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.446 1.021 . . . . 0.0 113.157 173.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 120.586 -1.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.27 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -150.88 147.66 27.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.347 1.859 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -34.42 -53.22 0.51 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 128.898 2.879 . . . . 0.0 114.994 -167.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -49.39 -43.76 44.51 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 126.122 1.769 . . . . 0.0 113.268 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' B' ' 6' ' ' ARG . 36.3 p90 -105.01 -12.61 16.09 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.636 1.174 . . . . 0.0 112.385 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -73.56 31.99 0.07 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.649 1.18 . . . . 0.0 112.003 169.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.487 ' H ' ' C ' ' B' ' 4' ' ' PHE . 4.4 mmp_? -47.91 134.93 12.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.344 2.658 . . . . 0.0 109.309 163.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -57.23 -36.9 71.48 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -166.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.8 m -85.95 136.96 33.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.175 0.99 . . . . 0.0 111.041 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.46 -120.07 0.91 Allowed Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 104.525 -3.43 . . . . 0.0 104.525 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.58 148.78 3.78 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.646 2.778 . . . . 0.0 110.43 -8.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -140.65 60.02 1.54 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.908 2.083 . . . . 0.0 105.698 167.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.43 -40.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 128.982 2.913 . . . . 0.0 113.794 -166.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -72.98 -3.0 23.28 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.249 -0.881 . . . . 0.0 113.169 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . 0.268 0.7 OUTLIER -148.31 29.24 0.87 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.686 1.13 . . . . 0.0 112.445 152.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -120.34 -179.19 3.88 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 126.54 1.936 . . . . 0.0 109.73 165.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -163.9 172.37 14.08 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.773 1.229 . . . . 0.0 110.618 -171.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.588 -0.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -90.94 0.63 57.47 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 126.683 1.993 . . . . 0.0 114.779 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -31.69 -48.38 0.14 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.889 2.876 . . . . 0.0 116.395 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.9 -20.79 64.14 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.628 1.171 . . . . 0.0 113.763 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' C ' ' H ' ' A' ' 6' ' ' ARG . 65.8 m-85 -102.27 -11.1 18.97 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.494 174.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -71.44 26.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.097 1.359 . . . . 0.0 112.135 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.0 mmp_? -81.52 167.2 19.58 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 126.964 2.106 . . . . 0.0 111.925 -176.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.68 -20.51 64.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.657 1.183 . . . . 0.0 112.936 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -56.35 -27.8 57.11 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 127.936 2.494 . . . . 0.0 116.074 -165.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.26 -112.55 2.25 Favored Glycine 0 C--O 1.222 -0.632 0 N-CA-C 106.512 -2.635 . . . . 0.0 106.512 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.23 155.76 8.15 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.057 2.143 . . . . 0.0 110.794 -5.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -140.51 77.34 1.6 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 160.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.26 -28.13 25.29 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 126.25 1.82 . . . . 0.0 112.422 -162.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -68.83 -10.4 56.66 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.613 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.34 -30.22 23.86 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.191 1.814 . . . . 0.0 112.653 165.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.88 -30.51 45.0 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.465 0.575 . . . . 0.0 111.713 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -139.84 146.96 40.03 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.156 0.982 . . . . 0.0 110.611 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.428 -0.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -62.89 151.73 38.4 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.734 1.614 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.16 75.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.328 1.451 . . . . 0.0 112.58 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.77 -15.41 29.36 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 126.779 2.032 . . . . 0.0 114.997 174.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -103.56 -23.67 13.47 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.284 169.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 -73.61 48.31 0.26 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 110.566 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.4 161.1 14.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 129.194 2.998 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.85 -23.56 62.35 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.5 m -58.99 -12.25 4.38 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.042 1.737 . . . . 0.0 115.658 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.05 -123.97 2.64 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 105.914 -2.874 . . . . 0.0 105.914 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.71 163.33 29.77 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.842 2.057 . . . . 0.0 110.64 -3.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -142.07 64.17 1.39 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 126.135 1.774 . . . . 0.0 106.739 163.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -46.64 -34.19 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 C-N-CA 129.133 2.973 . . . . 0.0 114.003 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -66.48 -12.88 59.63 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.087 0.858 . . . . 0.0 113.297 -169.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -151.87 -6.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -94.2 159.39 15.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.719 1.145 . . . . 0.0 110.636 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -133.7 -176.64 4.23 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.827 1.251 . . . . 0.0 112.557 -164.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 O-C-N 120.271 -1.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -159.23 149.7 19.42 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.477 1.111 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.85 78.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.022 0.929 . . . . 0.0 111.472 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.04 -10.09 57.51 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' C ' ' H ' ' A' ' 6' ' ' ARG . 19.2 m-85 -104.89 -22.83 13.09 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.811 0.845 . . . . 0.0 111.588 170.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -75.71 44.23 0.28 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 110.446 168.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 4' ' ' PHE . 5.8 mmp_? -86.37 174.87 8.74 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 128.704 2.802 . . . . 0.0 110.371 169.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -67.84 -12.35 60.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 m -60.99 -9.05 3.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.279 2.232 . . . . 0.0 116.046 -166.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.04 -120.02 1.11 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.7 -2.16 . . . . 0.0 107.7 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.78 153.68 7.44 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 121.247 2.524 . . . . 0.0 111.581 5.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -128.0 88.54 2.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 146.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.15 -13.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.966 1.706 . . . . 0.0 112.658 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.82 -18.32 54.9 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.455 171.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -90.52 -26.49 19.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 120.469 1.486 . . . . 0.0 112.884 167.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -71.09 -47.67 56.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.213 0.915 . . . . 0.0 110.507 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -161.65 141.51 10.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.47 1.508 . . . . 0.0 109.36 -171.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 121.347 -0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -99.88 154.07 18.64 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.271 1.028 . . . . 0.0 111.896 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -40.8 -58.46 1.66 Allowed 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.527 1.931 . . . . 0.0 114.777 -163.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.44 -37.55 57.14 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.995 1.318 . . . . 0.0 114.199 -170.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -109.35 -11.4 14.86 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.891 1.277 . . . . 0.0 112.99 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -79.05 65.96 4.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 107.411 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.22 149.75 22.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.132 1.773 . . . . 0.0 111.002 -168.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.3 -12.31 56.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.257 1.423 . . . . 0.0 111.506 174.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -57.22 -12.17 2.16 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.828 1.251 . . . . 0.0 114.014 -173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.37 -102.1 2.72 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 106.549 -2.62 . . . . 0.0 106.549 168.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.94 162.54 6.01 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 121.744 2.772 . . . . 0.0 111.098 0.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.72 77.95 1.39 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 154.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.04 -18.56 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 127.451 2.3 . . . . 0.0 114.757 -162.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -65.52 -11.87 47.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.489 1.041 . . . . 0.0 113.735 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -88.46 -5.71 58.08 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 116.714 -1.613 . . . . 0.0 113.557 173.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -106.59 156.58 18.45 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 121.161 1.801 . . . . 0.0 112.6 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? 77.19 -50.64 0.55 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 129.212 3.005 . . . . 0.0 112.195 -176.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.201 0 O-C-N 120.833 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.223 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -64.03 161.64 15.59 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.185 1.794 . . . . 0.0 112.803 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.91 -50.17 19.25 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.796 2.039 . . . . 0.0 112.769 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -63.17 -11.9 24.03 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.57 -17.35 13.44 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 125.46 1.504 . . . . 0.0 111.856 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -76.51 46.58 0.44 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.863 0.865 . . . . 0.0 110.516 164.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -86.88 159.42 19.06 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 127.197 2.199 . . . . 0.0 108.946 170.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.56 -18.6 62.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.076 0.95 . . . . 0.0 112.758 165.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m -79.93 22.95 0.47 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -165.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.77 -124.7 2.08 Favored Glycine 0 C--N 1.341 0.831 0 N-CA-C 108.205 -1.958 . . . . 0.0 108.205 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.17 151.44 4.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.23 2.612 . . . . 0.0 111.097 -1.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -130.76 100.81 5.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 138.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.83 -17.35 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.502 1.921 . . . . 0.0 111.829 -177.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -61.96 -26.65 68.33 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.66 -0.686 . . . . 0.0 111.042 172.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -95.32 -13.3 24.9 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.034 -0.984 . . . . 0.0 113.604 171.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -60.43 -37.62 81.49 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.851 1.205 . . . . 0.0 109.882 158.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -84.69 -7.47 59.21 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.623 1.969 . . . . 0.0 112.427 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 119.721 1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.193 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -98.4 125.03 43.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.843 1.257 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.81 -97.16 0.16 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.085 0.954 . . . . 0.0 109.501 -177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -47.33 -46.11 25.14 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -153.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -93.75 -24.3 17.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.49 -0.766 . . . . 0.0 111.984 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.09 60.15 5.34 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 122.521 1.153 . . . . 0.0 108.897 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -84.95 159.84 20.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 128.043 2.537 . . . . 0.0 110.081 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.93 -39.07 72.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.131 1.372 . . . . 0.0 113.057 -174.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -84.94 139.42 31.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.976 0.91 . . . . 0.0 109.931 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.73 -127.65 2.42 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 105.356 -3.098 . . . . 0.0 105.356 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 153.29 5.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 129.252 3.021 . . . . 0.0 110.017 -5.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.94 69.12 1.36 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 125.143 1.377 . . . . 0.0 107.738 156.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.3 t -40.19 -40.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.233 0 C-N-CA 129.836 3.255 . . . . 0.0 113.707 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -79.79 4.04 17.64 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -166.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -152.81 -1.24 0.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 150.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.13 140.46 33.79 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 120.341 1.428 . . . . 0.0 109.799 162.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.56 -35.07 78.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.114 1.766 . . . . 0.0 112.123 -176.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 O-C-N 121.01 -1.056 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -160.47 136.51 8.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.823 0.449 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.77 -21.47 62.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.438 0.695 . . . . 0.0 112.778 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -138.1 -39.51 0.54 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.942 -143.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -99.92 -24.42 14.65 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 113.594 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -78.73 63.65 3.54 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 109.097 173.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -98.32 141.86 30.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.732 2.013 . . . . 0.0 110.193 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.78 -35.12 72.43 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 119.116 -0.469 . . . . 0.0 111.615 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -72.19 7.32 1.75 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.95 -124.89 5.46 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 105.279 -3.128 . . . . 0.0 105.279 158.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.67 157.34 2.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 128.784 2.834 . . . . 0.0 108.837 -1.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -131.55 88.58 2.59 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 146.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.73 -18.6 19.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 125.378 1.471 . . . . 0.0 111.721 -175.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -69.01 -16.0 63.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 117.742 -1.123 . . . . 0.0 113.185 -173.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -90.11 -21.89 22.05 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.328 0.967 . . . . 0.0 112.368 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -86.87 -30.67 21.25 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.137 0.975 . . . . 0.0 111.713 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -162.51 154.09 18.16 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.167 1.387 . . . . 0.0 110.533 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 121.976 -0.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -162.45 151.65 15.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.339 1.055 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.9 2.13 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 127.78 2.432 . . . . 0.0 114.438 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -63.72 -20.63 65.89 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -114.15 6.3 16.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.53 1.059 . . . . 0.0 112.355 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -79.0 48.83 0.88 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.124 1.37 . . . . 0.0 109.597 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -109.83 169.14 8.91 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 125.736 1.615 . . . . 0.0 113.09 -158.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -62.39 -20.64 64.65 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.993 1.317 . . . . 0.0 112.576 165.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -67.67 7.64 0.47 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.11 2.164 . . . . 0.0 115.65 -164.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.0 -106.95 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 107.484 -2.246 . . . . 0.0 107.484 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.49 149.35 9.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 120.954 2.377 . . . . 0.0 111.375 -7.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -124.12 121.83 36.22 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 132.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -86.7 -22.8 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.968 1.307 . . . . 0.0 110.414 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -62.38 -29.1 70.23 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -156.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -140.44 31.1 1.91 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.408 1.483 . . . . 0.0 110.362 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.36 160.38 21.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.042 0.937 . . . . 0.0 112.998 -170.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -137.51 172.78 12.45 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 123.466 0.706 . . . . 0.0 109.863 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.134 0 O-C-N 121.5 -0.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.229 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.13 174.25 9.67 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.322 1.849 . . . . 0.0 113.011 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.15 -73.84 0.63 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.701 1.6 . . . . 0.0 111.712 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -55.33 -36.17 65.95 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -158.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -109.14 -10.86 14.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.626 1.17 . . . . 0.0 112.4 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -74.17 62.1 0.9 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.769 1.628 . . . . 0.0 108.343 167.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -103.89 149.75 24.8 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.481 1.512 . . . . 0.0 110.305 -168.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.47 -22.74 18.69 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.968 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -71.49 3.6 3.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.5 -107.18 2.19 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 104.956 -3.258 . . . . 0.0 104.956 160.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.85 144.98 1.38 Allowed 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 128.056 2.542 . . . . 0.0 108.837 -6.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -123.96 93.11 3.83 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 145.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.57 -29.83 48.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 C-N-CA 123.908 0.883 . . . . 0.0 110.6 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -67.2 -32.23 73.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -72.69 -33.03 66.22 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.156 0.889 . . . . 0.0 111.934 170.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -84.13 -38.01 21.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -127.1 6.58 6.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.64 1.576 . . . . 0.0 111.343 -170.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.034 0 O-C-N 120.891 -1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -105.32 -27.89 11.23 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.054 1.342 . . . . 0.0 112.865 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.59 54.24 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -170.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.16 -25.43 61.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.933 2.093 . . . . 0.0 113.788 174.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -122.54 -21.84 5.6 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.508 1.123 . . . . 0.0 112.693 172.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.23 49.69 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.98 1.712 . . . . 0.0 107.812 160.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -53.09 172.97 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 130.786 3.634 . . . . 0.0 111.687 172.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.32 -37.35 10.08 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.3 0.5 . . . . 0.0 110.807 170.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m -117.98 147.02 43.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.18 1.792 . . . . 0.0 109.783 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.42 -121.6 0.62 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -176.78 158.75 1.7 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 120.764 2.282 . . . . 0.0 110.515 9.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -138.6 122.35 17.58 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 118.133 -1.427 . . . . 0.0 107.172 117.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -57.01 -36.82 52.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 124.876 1.27 . . . . 0.0 110.781 -173.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -69.91 -18.82 63.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.263 -0.875 . . . . 0.0 112.988 -169.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -103.56 -2.92 25.97 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.454 -1.26 . . . . 0.0 113.713 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -94.72 155.75 16.7 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.754 1.161 . . . . 0.0 112.006 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -149.37 172.74 14.42 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.985 1.314 . . . . 0.0 111.329 -173.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 O-C-N 121.569 -0.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -161.32 148.78 15.05 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.341 1.456 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.26 62.56 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.34 1.456 . . . . 0.0 113.921 -174.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.34 -33.48 74.79 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.224 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -97.53 -17.51 19.54 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 116.973 -1.489 . . . . 0.0 114.026 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -75.2 47.19 0.35 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.835 1.654 . . . . 0.0 110.157 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -78.57 150.79 32.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 126.782 2.033 . . . . 0.0 110.021 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.25 -26.51 68.42 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.519 1.128 . . . . 0.0 112.691 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 m -75.11 -1.91 25.17 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -165.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.33 -124.36 2.99 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 107.545 -2.222 . . . . 0.0 107.545 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.68 151.26 9.1 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.977 2.511 . . . . 0.0 110.36 -1.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -130.25 82.84 2.08 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 157.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.29 -6.99 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.848 2.059 . . . . 0.0 113.35 -170.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -60.93 -19.76 61.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.462 1.028 . . . . 0.0 111.622 167.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -84.11 0.83 46.88 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -127.21 -43.08 1.66 Allowed 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 112.518 -173.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -149.89 158.23 43.96 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.607 1.563 . . . . 0.0 109.848 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 O-C-N 121.788 -0.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -146.59 138.47 24.71 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.06 -41.82 2.7 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 127.982 2.513 . . . . 0.0 114.177 -170.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.77 -35.38 61.24 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 117.404 -1.284 . . . . 0.0 113.863 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -112.96 -19.88 11.76 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.652 1.115 . . . . 0.0 112.198 172.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.89 50.25 0.99 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.9 1.68 . . . . 0.0 108.824 164.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -61.49 155.4 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 129.869 3.268 . . . . 0.0 110.374 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.12 -19.78 12.92 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.878 1.271 . . . . 0.0 113.265 -169.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -80.21 82.17 6.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.124 0.875 . . . . 0.0 110.19 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.12 -109.54 0.28 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.43 161.9 19.07 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 128.795 2.838 . . . . 0.0 110.044 -9.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.2 86.09 1.35 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 155.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.91 -26.7 36.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 126.427 1.891 . . . . 0.0 113.809 -162.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -60.82 -20.94 62.6 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.945 1.248 . . . . 0.0 113.129 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.37 1.46 51.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.885 1.274 . . . . 0.0 112.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -149.77 175.54 11.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.174 1.389 . . . . 0.0 110.66 -158.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -81.34 26.52 0.45 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.609 0.764 . . . . 0.0 112.203 173.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.072 0 O-C-N 120.833 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -103.05 151.68 22.24 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.928 1.291 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -36.53 -59.69 0.64 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 127.253 2.221 . . . . 0.0 114.932 -159.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.52 -37.12 16.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.922 1.689 . . . . 0.0 115.017 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -112.8 -12.6 13.31 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.444 1.098 . . . . 0.0 112.93 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.08 60.89 3.75 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.107 1.763 . . . . 0.0 109.358 168.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -85.79 151.39 23.86 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.589 1.956 . . . . 0.0 110.561 -171.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.56 -9.04 55.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.574 1.949 . . . . 0.0 112.685 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -65.59 -11.5 44.78 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.17 -108.04 1.59 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.39 162.53 10.34 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 127.605 2.362 . . . . 0.0 109.438 6.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -139.1 83.84 1.97 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 151.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.55 -20.59 19.01 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 126.017 1.727 . . . . 0.0 112.364 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -62.08 -24.42 67.1 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 120.433 1.47 . . . . 0.0 112.476 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.5 -27.1 21.68 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.648 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -61.63 -48.7 79.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.674 1.124 . . . . 0.0 108.839 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -154.84 135.32 13.38 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.888 1.275 . . . . 0.0 109.445 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.678 -0.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.294 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -155.33 142.6 19.4 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.819 0.847 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.28 -22.3 4.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.216 1.806 . . . . 0.0 115.395 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.88 -41.91 98.43 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.124 0.874 . . . . 0.0 111.318 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.23 -8.28 7.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.475 1.11 . . . . 0.0 113.5 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -80.27 77.8 6.99 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.271 1.428 . . . . 0.0 108.175 167.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -122.92 166.02 15.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.731 2.012 . . . . 0.0 111.634 -160.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.42 -18.08 64.36 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.908 1.283 . . . . 0.0 112.034 164.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.9 m -63.12 -3.45 1.77 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 127.404 2.281 . . . . 0.0 116.575 -161.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.18 -99.31 0.86 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 106.497 -2.641 . . . . 0.0 106.497 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.79 159.53 18.65 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 120.164 1.982 . . . . 0.0 111.857 -3.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -151.02 75.46 1.2 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 147.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -39.68 -44.27 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 128.272 2.629 . . . . 0.0 114.226 -160.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -59.66 -22.56 62.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.762 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -153.08 -0.25 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -125.57 156.82 38.51 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 120.424 1.465 . . . . 0.0 111.728 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -81.59 157.96 24.55 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 127.679 2.392 . . . . 0.0 112.078 -168.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 121.097 -1.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.253 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -174.77 156.77 2.36 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 124.972 1.309 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.28 83.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.316 0.962 . . . . 0.0 112.336 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.29 -9.29 46.59 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.434 1.494 . . . . 0.0 114.714 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' C ' ' H ' ' A' ' 6' ' ' ARG . 19.6 m-85 -111.59 -21.58 11.66 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 124.152 0.981 . . . . 0.0 112.575 170.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 46.06 0.36 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.996 1.718 . . . . 0.0 109.267 166.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' H ' ' C ' ' A' ' 4' ' ' PHE . 5.4 mmp_? -70.68 179.95 2.4 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.055 2.542 . . . . 0.0 110.048 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.19 -46.68 82.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.7 m -147.79 152.01 36.98 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 124.531 1.132 . . . . 0.0 111.983 -165.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.02 -120.52 0.92 Allowed Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 106.705 -2.558 . . . . 0.0 106.705 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.31 156.69 7.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.98 2.912 . . . . 0.0 109.152 -8.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -134.52 91.95 2.85 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 143.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.96 -18.76 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.855 2.062 . . . . 0.0 113.599 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -57.56 -38.71 75.25 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.009 0.924 . . . . 0.0 110.947 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.579 ' CE1' HE21 ' B' ' 15' ' ' GLN . 63.5 m-70 -83.99 -16.6 43.42 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.552 174.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.95 -41.23 68.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 120.138 1.335 . . . . 0.0 111.617 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -81.84 -24.63 35.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.633 0.373 . . . . 0.0 110.851 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.032 0 O-C-N 121.048 -1.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -72.8 -13.35 61.28 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -38.59 -38.72 0.42 Allowed 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 128.556 2.742 . . . . 0.0 115.894 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.14 -34.06 59.45 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 124.886 1.274 . . . . 0.0 113.945 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -113.99 -22.59 10.0 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.317 0.962 . . . . 0.0 111.252 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -77.85 62.23 2.65 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 122.665 1.221 . . . . 0.0 108.593 161.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -74.12 132.32 42.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.862 2.465 . . . . 0.0 109.778 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -66.53 -21.54 66.16 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.998 169.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.4 m -62.3 -11.81 17.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.43 -115.55 3.88 Favored Glycine 0 C--N 1.341 0.808 0 N-CA-C 106.211 -2.756 . . . . 0.0 106.211 166.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.82 161.68 11.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 127.664 2.385 . . . . 0.0 110.806 -4.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -146.42 75.61 1.41 Allowed 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 158.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -49.24 -30.21 4.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 127.731 2.412 . . . . 0.0 113.096 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.93 -20.47 65.24 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -162.05 -11.29 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 173.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.579 HE21 ' CE1' ' A' ' 14' ' ' HIS . 18.6 mm-40 -109.78 149.53 29.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 120.438 1.472 . . . . 0.0 110.947 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -74.12 -12.12 60.51 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.469 1.108 . . . . 0.0 112.866 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 119.806 1.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.371 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -129.08 154.01 47.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.311 1.044 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.0 -52.92 8.33 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 126.646 1.979 . . . . 0.0 114.503 -161.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.73 -13.68 16.48 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' CG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 p90 -130.04 -3.33 4.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.68 1.192 . . . . 0.0 112.258 171.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -79.67 51.0 1.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.765 0.826 . . . . 0.0 108.831 155.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.55 161.2 14.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.784 2.034 . . . . 0.0 109.87 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -75.06 -21.37 59.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -69.21 0.1 5.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -167.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.29 -132.18 4.73 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 108.071 -2.012 . . . . 0.0 108.071 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.64 160.9 17.93 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.231 2.016 . . . . 0.0 111.816 5.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -138.42 100.72 4.18 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 136.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.82 -26.18 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 125.686 1.594 . . . . 0.0 110.997 -174.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -59.43 -40.25 86.12 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.648 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -81.21 -37.84 27.98 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 120.023 1.283 . . . . 0.0 112.179 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.21 -35.26 73.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HE3' ' CG ' ' A' ' 4' ' ' PHE . 71.6 mmtt -99.03 5.72 46.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.898 0.479 . . . . 0.0 111.366 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 CA-C-N 118.926 0.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -65.66 147.65 53.05 Favored 'General case' 0 CA--C 1.52 -0.188 0 O-C-N 123.956 0.785 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.51 84.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.919 0.887 . . . . 0.0 111.523 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -57.26 -18.3 15.72 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.368 1.867 . . . . 0.0 114.506 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -113.71 -13.76 12.65 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 124.328 1.051 . . . . 0.0 113.692 174.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -79.19 55.84 1.92 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.515 1.126 . . . . 0.0 108.887 167.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -91.59 -11.17 37.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.45 1.5 . . . . 0.0 113.697 -171.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -173.17 164.78 4.85 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.51 0.724 . . . . 0.0 110.743 -161.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.1 m -57.72 130.04 44.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.657 0.383 . . . . 0.0 109.975 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.06 -126.53 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.83 162.21 39.71 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 128.185 2.594 . . . . 0.0 109.073 -7.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -143.82 71.45 1.32 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 159.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.22 -19.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.269 0 C-N-CA 127.277 2.231 . . . . 0.0 114.206 -166.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -59.78 -19.49 50.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.681 1.128 . . . . 0.0 113.097 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.9 -29.49 17.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 120.77 1.623 . . . . 0.0 112.923 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -68.88 -43.22 75.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.479 1.112 . . . . 0.0 110.703 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -52.2 138.53 25.84 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.428 2.291 . . . . 0.0 113.621 -168.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.125 0 O-C-N 121.264 -0.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -36.89 64.08 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.514 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.43 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 123.795 0.838 . . . . 0.0 113.161 -158.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.52 -21.82 53.44 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 173.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' C ' ' H ' ' A' ' 6' ' ' ARG . 10.6 m-85 -100.33 -16.71 17.57 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 125.266 1.427 . . . . 0.0 112.952 176.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -70.94 21.92 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.618 1.167 . . . . 0.0 112.556 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 4' ' ' PHE . 3.6 mmp_? -72.6 159.75 33.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.519 1.927 . . . . 0.0 109.946 173.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -70.09 -24.83 63.28 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.248 1.419 . . . . 0.0 113.136 171.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.8 m -78.46 62.1 3.0 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.317 1.447 . . . . 0.0 112.924 -169.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.38 -123.16 0.69 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 168.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.21 149.56 5.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 120.759 2.28 . . . . 0.0 111.387 1.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -131.78 88.66 2.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.618 -1.174 . . . . 0.0 107.883 149.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.59 -20.47 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 127.106 2.163 . . . . 0.0 113.523 -170.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.99 -39.23 88.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.951 0.796 . . . . 0.0 110.737 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -74.09 -26.18 60.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 118.276 -0.868 . . . . 0.0 112.11 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -68.89 -43.22 75.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 118.925 0.784 . . . . 0.0 111.134 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -65.47 147.25 53.74 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.549 1.54 . . . . 0.0 112.474 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.14 0 O-C-N 121.341 -0.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -62.96 -6.07 3.51 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.264 1.425 . . . . 0.0 114.84 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -39.88 -42.5 1.33 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.654 1.981 . . . . 0.0 111.545 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.1 -23.39 54.66 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 125.363 1.465 . . . . 0.0 113.851 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.404 ' C ' ' H ' ' B' ' 6' ' ' ARG . 28.0 m-85 -102.25 -13.11 17.52 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.695 1.134 . . . . 0.0 112.651 174.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -76.3 27.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.734 0.814 . . . . 0.0 111.957 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' B' ' 4' ' ' PHE . 2.9 mmp_? -73.83 155.99 38.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.308 1.843 . . . . 0.0 110.646 174.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.23 -13.78 60.87 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.394 0.678 . . . . 0.0 112.665 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -64.55 -14.12 55.99 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -163.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.23 -127.16 2.99 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 107.401 -2.28 . . . . 0.0 107.401 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.9 155.36 3.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.988 2.394 . . . . 0.0 111.279 13.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -133.53 93.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 106.025 -1.842 . . . . 0.0 106.025 150.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.13 -36.3 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.992 1.317 . . . . 0.0 111.727 -170.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -69.4 -20.09 63.81 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -164.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -145.86 53.13 1.15 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 164.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -55.25 163.12 1.22 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.659 1.583 . . . . 0.0 112.285 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -80.56 167.48 20.05 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.761 0.825 . . . . 0.0 111.811 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 122.151 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -176.9 169.38 2.42 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.097 1.759 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.09 -47.55 45.1 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 126.331 1.852 . . . . 0.0 113.209 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.86 -4.8 13.86 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 6' ' ' ARG . 23.8 m-85 -111.47 -15.75 13.46 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.674 1.19 . . . . 0.0 112.34 170.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -74.05 35.82 0.09 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.507 1.049 . . . . 0.0 111.203 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 4' ' ' PHE . 2.4 mmp_? -82.07 165.55 20.51 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.653 1.981 . . . . 0.0 111.835 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -77.26 -29.2 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.444 0.698 . . . . 0.0 112.725 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 m -86.51 64.01 8.3 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.849 0.749 . . . . 0.0 111.864 -173.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.17 -130.67 1.2 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 172.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 144.21 6.27 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.644 2.377 . . . . 0.0 110.135 -1.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -127.52 78.82 1.85 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 156.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -49.09 -39.04 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 C-N-CA 128.352 2.661 . . . . 0.0 114.958 -159.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -66.0 -25.55 67.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.857 -170.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -73.02 -10.7 60.08 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 117.935 -1.031 . . . . 0.0 113.677 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -30.02 69.96 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.885 1.22 . . . . 0.0 112.084 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -61.34 -25.79 67.38 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 124.746 1.218 . . . . 0.0 112.988 171.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 119.719 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.402 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.96 169.3 9.06 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.761 0.824 . . . . 0.0 112.579 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.79 -44.93 66.94 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.763 1.225 . . . . 0.0 113.913 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -55.87 -35.33 66.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -167.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -106.95 -4.58 18.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 118.137 -0.935 . . . . 0.0 113.304 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 tpp85 -71.06 79.55 0.67 Allowed 'General case' 0 C--N 1.347 0.457 0 C-N-CA 125.044 1.338 . . . . 0.0 108.475 161.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -122.57 157.95 30.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.033 1.733 . . . . 0.0 110.956 -168.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.63 -31.49 28.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.585 0.754 . . . . 0.0 112.854 -176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m -80.44 76.36 7.27 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.732 0.813 . . . . 0.0 112.133 -166.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.03 -103.62 0.17 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 107.032 -2.427 . . . . 0.0 107.032 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.8 156.54 6.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.022 2.529 . . . . 0.0 110.547 -10.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -138.49 96.39 3.16 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.639 135.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 t -60.54 -32.07 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.633 0.773 . . . . 0.0 111.862 -169.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -62.77 -14.77 48.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -165.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.49 -10.38 27.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -96.8 165.59 12.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 121.485 1.948 . . . . 0.0 112.767 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -79.91 157.43 26.91 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 126.319 1.848 . . . . 0.0 110.808 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 121.619 -0.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.27 77.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -155.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -27.0 67.34 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -116.72 -11.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.523 1.129 . . . . 0.0 113.646 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -73.96 70.48 1.5 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 122.619 1.199 . . . . 0.0 108.557 159.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -105.61 147.99 27.82 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 127.486 2.314 . . . . 0.0 107.756 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.8 -20.11 53.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.363 1.865 . . . . 0.0 111.598 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 m -84.02 12.92 5.56 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.072 1.349 . . . . 0.0 113.825 -165.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -122.57 3.41 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 104.651 -3.38 . . . . 0.0 104.651 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.92 156.81 9.41 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.895 2.478 . . . . 0.0 109.427 -4.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.1 102.68 7.07 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 135.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.87 -17.92 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 125.437 1.495 . . . . 0.0 113.079 -172.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -61.15 -19.02 61.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.13 4.23 36.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.752 1.221 . . . . 0.0 113.549 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -122.38 169.53 10.86 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.392 1.477 . . . . 0.0 112.005 167.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.252 -164.909 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.8 -33.68 50.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 126.245 1.818 . . . . 0.0 114.858 -167.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -67.95 -33.83 75.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.333 1.053 . . . . 0.0 111.597 -171.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -119.04 -2.45 10.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.414 1.485 . . . . 0.0 114.682 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.477 ' HD2' HG11 ' B' ' 12' ' ' VAL . 33.4 mmm-85 -74.01 77.11 1.7 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.992 1.317 . . . . 0.0 108.245 153.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -123.3 152.02 41.83 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.108 2.563 . . . . 0.0 109.345 -173.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.96 -7.91 56.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.668 0.787 . . . . 0.0 112.922 166.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -76.33 15.14 0.63 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.786 1.635 . . . . 0.0 114.125 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.47 -108.5 1.07 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 105.2 -3.16 . . . . 0.0 105.2 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.72 152.99 1.69 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.213 2.605 . . . . 0.0 109.646 -4.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -140.86 82.75 1.86 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 154.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' B' ' 5' ' ' ARG . 94.1 t -55.79 -25.47 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 C-N-CA 127.663 2.385 . . . . 0.0 112.678 -161.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -63.34 -20.09 65.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.682 0.614 . . . . 0.0 112.572 -167.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -150.57 10.5 0.65 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 169.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.62 161.79 13.36 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.802 1.241 . . . . 0.0 110.507 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.813 178.899 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.85 62.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.056 1.342 . . . . 0.0 111.812 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.67 -13.2 61.67 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CD1' ' HG2' ' A' ' 15' ' ' GLN . 18.3 m-85 -105.76 -21.27 13.21 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.598 1.09 . . . . 0.0 112.507 173.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -75.67 63.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.2 1.0 . . . . 0.0 109.079 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -98.88 154.38 18.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.859 2.464 . . . . 0.0 109.973 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.55 -41.93 96.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 112.329 171.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.8 m -83.69 67.67 9.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.385 1.474 . . . . 0.0 112.015 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.96 -137.37 2.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.26 156.49 5.79 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.759 3.223 . . . . 0.0 107.31 -1.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -136.81 100.2 4.25 Favored 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 147.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.5 -15.13 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.351 1.46 . . . . 0.0 112.956 -166.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -58.03 -24.96 60.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -100.33 6.92 44.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.942 0.897 . . . . 0.0 112.648 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.403 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 66.2 tp60 -78.47 -77.75 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.359 0.981 . . . . 0.0 110.214 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -170.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 . . . . . 0 N--CA 1.461 0.091 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.74 -37.75 6.27 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.02 1.728 . . . . 0.0 113.773 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -54.7 -34.92 63.04 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 126.014 1.725 . . . . 0.0 113.723 -177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -109.72 -16.13 13.98 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.917 172.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mmm-85 -81.76 52.37 1.9 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 122.302 1.048 . . . . 0.0 109.843 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.48 152.54 43.9 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.365 2.666 . . . . 0.0 109.888 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -63.8 -40.11 95.86 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.402 1.081 . . . . 0.0 113.256 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.9 m -84.95 121.16 27.36 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.84 0.856 . . . . 0.0 109.16 -167.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.85 -134.86 4.07 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 107.655 -2.178 . . . . 0.0 107.655 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.05 147.43 5.58 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.614 2.365 . . . . 0.0 110.265 -3.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -134.24 74.31 1.53 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.614 1.166 . . . . 0.0 108.062 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.18 -27.66 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 128.083 2.553 . . . . 0.0 114.747 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.04 -11.26 56.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -82.59 -20.56 36.24 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.95 146.45 35.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 119.509 1.05 . . . . 0.0 113.275 -158.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 127.122 2.169 . . . . 0.0 111.491 -169.645 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 t70 . . . . . 0 CA--C 1.54 0.588 0 CA-C-O 120.251 0.072 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.95 -38.61 76.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.48 1.112 . . . . 0.0 113.446 -169.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.16 -11.32 8.56 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.211 1.804 . . . . 0.0 114.776 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -107.7 -26.87 10.63 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 125.194 1.398 . . . . 0.0 112.085 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -67.73 17.87 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 113.085 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -53.11 141.7 22.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 126.517 1.927 . . . . 0.0 111.193 170.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.47 -20.75 65.52 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.457 1.103 . . . . 0.0 111.176 167.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -63.29 -0.82 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.291 1.836 . . . . 0.0 114.888 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 -120.99 2.58 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 107.317 -2.313 . . . . 0.0 107.317 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.54 145.46 1.59 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 120.894 2.347 . . . . 0.0 111.229 2.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -129.07 82.45 2.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 152.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.57 -26.78 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 128.618 2.767 . . . . 0.0 113.694 -166.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -54.25 -28.71 43.24 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -91.58 1.56 57.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.379 1.445 . . . . 0.0 114.506 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -135.46 -67.65 0.53 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.591 1.156 . . . . 0.0 109.074 -174.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.291 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.528 0 C-N-CA 127.766 2.426 . . . . 0.0 114.574 174.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.95 -42.59 59.88 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 125.973 1.709 . . . . 0.0 113.121 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.37 -17.01 51.97 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -106.27 -12.45 15.7 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.461 1.504 . . . . 0.0 112.603 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -76.05 51.22 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.044 1.338 . . . . 0.0 110.33 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.79 172.53 8.57 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.829 2.452 . . . . 0.0 110.742 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -71.72 -33.0 68.36 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -168.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -115.06 129.62 56.74 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.497 1.044 . . . . 0.0 113.24 -171.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.402 ' HA3' ' CG ' ' B' ' 10' ' ' TYR . . . 156.19 -129.34 2.43 Favored Glycine 0 CA--C 1.533 1.16 0 N-CA-C 105.951 -2.859 . . . . 0.0 105.951 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.402 ' CG ' ' HA3' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -175.81 145.4 0.68 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 122.276 3.038 . . . . 0.0 110.184 -1.706 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -128.07 107.3 9.7 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 140.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.67 -18.45 23.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 125.934 1.693 . . . . 0.0 113.012 -168.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -62.47 -23.64 67.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.097 -0.477 . . . . 0.0 111.556 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -91.97 -13.84 30.45 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.221 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -55.83 -34.62 65.56 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 119.591 1.087 . . . . 0.0 111.836 173.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 CA--C 1.54 0.596 0 C-N-CA 125.969 1.708 . . . . 0.0 109.589 178.535 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 121.554 0.693 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.66 93.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.898 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.34 -23.58 49.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.15 0.98 . . . . 0.0 112.893 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -96.96 -17.75 19.89 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 18.62 0.13 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.925 1.238 . . . . 0.0 113.636 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.09 162.91 25.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.178 2.191 . . . . 0.0 113.958 -165.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.92 -14.83 17.47 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.299 1.44 . . . . 0.0 112.661 165.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -61.9 -2.64 0.92 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.491 2.316 . . . . 0.0 114.436 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.83 -118.17 0.95 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 106.674 -2.571 . . . . 0.0 106.674 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.82 146.04 5.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.903 2.352 . . . . 0.0 112.141 3.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.19 89.93 2.57 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 150.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -53.92 -26.07 13.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 126.205 1.802 . . . . 0.0 112.076 -166.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -66.72 -13.82 61.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.22 -3.4 56.98 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.597 1.09 . . . . 0.0 113.176 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -122.66 -32.09 3.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.62 1.168 . . . . 0.0 110.93 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt . . . . . 0 CA--C 1.532 0.268 0 C-N-CA 125.885 1.674 . . . . 0.0 109.377 170.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 119.711 -0.185 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.43 86.95 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.605 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.44 -9.19 23.46 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -102.55 -25.77 13.47 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 116.871 -1.538 . . . . 0.0 113.6 171.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -71.22 45.94 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.724 1.61 . . . . 0.0 111.089 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.31 162.52 14.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.763 2.825 . . . . 0.0 110.683 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.22 -27.64 63.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.151 0.98 . . . . 0.0 112.72 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.9 m -72.88 94.82 1.87 Allowed 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 123.658 0.783 . . . . 0.0 110.852 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.5 -121.77 1.44 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 104.524 -3.43 . . . . 0.0 104.524 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.89 4.94 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.832 2.453 . . . . 0.0 109.978 -9.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.37 92.78 3.23 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 147.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.9 t -55.9 -19.71 7.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 126.215 1.806 . . . . 0.0 112.9 -170.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -56.21 -20.63 18.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 124.921 1.288 . . . . 0.0 113.904 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -109.57 6.1 23.67 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 120.06 1.3 . . . . 0.0 113.138 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -59.11 -38.31 79.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 120.21 1.368 . . . . 0.0 113.455 -169.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttm . . . . . 0 CA--C 1.535 0.395 0 C-N-CA 127.122 2.169 . . . . 0.0 112.895 176.096 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.321 0.105 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.21 -40.16 73.6 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.42 1.488 . . . . 0.0 112.139 -175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.21 -21.14 21.38 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.875 -1.536 . . . . 0.0 113.71 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -102.07 -13.03 17.68 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.261 1.424 . . . . 0.0 113.494 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -74.22 43.39 0.17 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.714 1.206 . . . . 0.0 110.892 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.9 152.6 20.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.746 2.018 . . . . 0.0 112.053 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.75 -13.37 32.0 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -54.38 -13.99 1.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 127.247 2.219 . . . . 0.0 115.299 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -129.78 1.83 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.03 153.04 4.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.624 2.212 . . . . 0.0 111.483 11.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -134.3 71.21 1.45 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.458 1.503 . . . . 0.0 107.8 161.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.11 -24.96 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 129.637 3.175 . . . . 0.0 115.204 -165.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -73.54 -4.87 36.6 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.262 0.937 . . . . 0.0 112.352 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -89.46 -1.48 58.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.364 1.438 . . . . 0.0 113.524 163.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -131.47 163.18 28.53 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 125.374 1.47 . . . . 0.0 111.088 -167.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.222 -0.367 0 C-N-CA 124.493 1.117 . . . . 0.0 111.81 -174.839 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.54 -41.41 21.2 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 126.088 1.755 . . . . 0.0 114.974 -165.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.43 -27.27 69.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -117.18 -11.34 10.69 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.192 0.597 . . . . 0.0 111.758 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -78.15 81.13 4.54 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.268 1.427 . . . . 0.0 107.235 167.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -117.43 177.63 4.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.505 2.322 . . . . 0.0 110.094 -168.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -63.22 -38.28 90.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.915 0.486 . . . . 0.0 111.399 168.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -150.74 172.61 15.31 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.32 2.248 . . . . 0.0 110.764 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.87 -101.21 0.15 Allowed Glycine 0 CA--C 1.534 1.252 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.11 146.41 7.56 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.921 1.86 . . . . 0.0 112.015 -1.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.76 78.07 1.78 Allowed 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 150.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -38.57 -39.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 127.892 2.477 . . . . 0.0 112.934 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -56.94 -27.77 61.45 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 117.039 -1.458 . . . . 0.0 113.918 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -165.48 -2.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -156.31 162.28 40.11 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 121.818 2.099 . . . . 0.0 112.583 -163.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.223 -0.316 0 C-N-CA 126.352 1.861 . . . . 0.0 113.286 -177.28 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 126.934 2.094 . . . . 0.0 113.47 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.98 -19.51 52.68 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 125.904 1.682 . . . . 0.0 113.75 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -107.2 -17.33 14.18 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 125.357 1.463 . . . . 0.0 112.137 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -72.15 19.74 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.098 0.959 . . . . 0.0 112.339 170.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -58.41 151.15 20.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.686 1.594 . . . . 0.0 110.135 165.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.29 -26.12 68.63 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 166.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.7 m -74.98 90.9 2.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.184 0.994 . . . . 0.0 111.236 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.99 -129.48 2.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 106.117 -2.793 . . . . 0.0 106.117 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.5 155.32 17.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.67 2.788 . . . . 0.0 111.088 -6.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.29 95.19 2.96 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 141.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.33 -16.21 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 126.962 2.105 . . . . 0.0 113.353 -172.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.24 -26.72 68.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.024 0.929 . . . . 0.0 111.979 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -88.88 -11.89 43.34 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.273 1.397 . . . . 0.0 112.448 172.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -84.7 -30.08 25.08 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.175 0.99 . . . . 0.0 111.982 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 125.415 1.486 . . . . 0.0 108.941 -176.662 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.61 -46.82 40.11 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 124.482 1.113 . . . . 0.0 112.196 -164.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.01 -22.78 61.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 116.158 1.911 . . . . 0.0 116.158 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -116.53 -18.19 10.44 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.162 0.892 . . . . 0.0 111.709 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -77.59 68.63 3.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 162.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -96.98 147.32 24.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.762 2.025 . . . . 0.0 109.892 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -64.5 -16.43 62.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.848 0.859 . . . . 0.0 112.01 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -64.45 4.57 0.36 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.156 2.982 . . . . 0.0 114.676 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.46 -111.4 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 105.888 -2.885 . . . . 0.0 105.888 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.0 145.06 2.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 120.814 2.307 . . . . 0.0 108.971 -2.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.62 71.39 1.47 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 158.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 t -42.62 -38.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 128.634 2.774 . . . . 0.0 113.263 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -65.92 -20.13 66.11 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 117.371 -1.3 . . . . 0.0 113.877 -164.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -140.63 4.55 1.95 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.617 1.098 . . . . 0.0 112.469 164.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.09 -158.9 0.4 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.662 0.785 . . . . 0.0 109.38 161.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.3 mttp . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -173.204 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.6 t0 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.72 87.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.987 1.715 . . . . 0.0 113.405 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.79 -14.3 8.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.811 2.045 . . . . 0.0 114.548 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.88 -11.35 14.69 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 124.368 1.067 . . . . 0.0 112.727 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.75 31.75 0.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.6 1.091 . . . . 0.0 112.08 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -83.86 161.98 20.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 128.095 2.558 . . . . 0.0 111.487 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.67 -17.76 64.7 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.791 -0.568 . . . . 0.0 111.811 164.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 m -65.9 13.57 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.401 2.28 . . . . 0.0 115.541 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.37 -120.05 1.09 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 167.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.16 149.95 2.93 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 120.422 2.111 . . . . 0.0 110.691 4.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.71 90.14 2.67 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 152.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.75 -20.62 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 128.02 2.528 . . . . 0.0 113.994 -167.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.18 -17.38 64.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.419 -0.8 . . . . 0.0 111.119 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -99.3 -9.08 24.04 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.792 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -58.42 -41.75 85.72 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.532 1.06 . . . . 0.0 108.912 155.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt . . . . . 0 N--CA 1.449 -0.517 0 C-N-CA 126.72 2.008 . . . . 0.0 112.153 176.108 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.38 73.82 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 125.324 1.45 . . . . 0.0 113.318 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.56 -25.13 62.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.118 1.367 . . . . 0.0 113.593 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -96.55 -16.91 20.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 117.8 -1.095 . . . . 0.0 112.076 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -74.9 32.59 0.1 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.564 1.146 . . . . 0.0 112.278 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -83.67 157.69 22.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.416 1.886 . . . . 0.0 109.972 174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.97 -12.53 55.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.086 1.354 . . . . 0.0 112.806 167.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -78.13 59.93 2.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 112.875 -165.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.19 -115.73 0.52 Allowed Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 106.917 -2.473 . . . . 0.0 106.917 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.64 156.42 6.51 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 127.84 2.456 . . . . 0.0 109.341 -0.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -133.21 114.97 14.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 131.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.28 -16.67 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.623 1.169 . . . . 0.0 113.213 -163.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -64.05 -14.81 57.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -139.62 -71.84 0.39 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 119.334 0.97 . . . . 0.0 112.103 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -159.42 161.76 35.61 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 122.333 1.063 . . . . 0.0 112.581 -153.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.452 -0.369 0 C-N-CA 124.439 1.096 . . . . 0.0 112.814 -175.478 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.53 -44.76 69.45 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 125.753 1.621 . . . . 0.0 113.407 -171.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.65 -16.3 37.49 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -105.17 -11.73 16.43 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.374 0.988 . . . . 0.0 113.055 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -71.51 18.72 0.07 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.345 0.975 . . . . 0.0 112.477 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -68.49 170.49 8.98 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.567 1.947 . . . . 0.0 111.598 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.62 -14.01 17.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.516 1.526 . . . . 0.0 114.227 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 m -69.96 -8.32 47.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -166.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.67 -117.66 0.98 Allowed Glycine 0 C--N 1.343 0.958 0 CA-C-N 120.38 1.445 . . . . 0.0 109.744 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.54 147.21 8.78 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 128.256 2.623 . . . . 0.0 110.386 -5.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.43 101.55 6.74 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 141.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.61 -25.97 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 124.78 1.232 . . . . 0.0 112.038 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -65.16 -12.75 54.45 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -166.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -114.79 12.65 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.499 1.045 . . . . 0.0 112.943 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -135.11 -68.6 0.52 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 120.299 1.409 . . . . 0.0 112.403 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 CA--C 1.519 -0.213 0 CA-C-N 118.54 0.609 . . . . 0.0 111.455 -168.271 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 110.617 -0.142 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.25 29.61 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 126.653 1.981 . . . . 0.0 114.215 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.86 -34.24 12.21 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.804 2.042 . . . . 0.0 114.438 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -117.44 -8.56 11.0 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.573 1.149 . . . . 0.0 112.759 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.429 ' HE ' ' CG1' ' B' ' 12' ' ' VAL . 20.4 tpp85 -80.7 57.5 2.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.678 1.591 . . . . 0.0 108.424 166.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -88.15 158.79 18.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.464 2.305 . . . . 0.0 110.82 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.73 -11.34 59.07 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.463 0.705 . . . . 0.0 112.619 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.0 m -73.85 36.51 0.09 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.613 1.965 . . . . 0.0 114.307 -170.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.81 -110.27 0.23 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 105.74 -2.944 . . . . 0.0 105.74 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.54 158.15 9.26 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 121.007 2.403 . . . . 0.0 111.373 1.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -140.7 61.45 1.51 Allowed 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.245 1.418 . . . . 0.0 107.72 166.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.429 ' CG1' ' HE ' ' B' ' 5' ' ' ARG . 94.7 t -54.91 -20.6 6.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 112.612 -173.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.2 -13.75 41.19 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -141.24 1.71 1.63 Allowed 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 156.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -93.44 167.59 11.61 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.654 1.115 . . . . 0.0 110.545 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.168 0.987 . . . . 0.0 112.977 -171.825 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.23 71.1 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.841 1.256 . . . . 0.0 113.141 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.54 -17.6 62.97 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.302 1.441 . . . . 0.0 113.292 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' ARG . 23.0 m-85 -102.45 -18.16 15.47 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.941 1.296 . . . . 0.0 112.472 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -72.94 37.31 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.827 1.194 . . . . 0.0 112.06 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.0 mmp_? -82.61 167.43 18.31 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.319 2.247 . . . . 0.0 110.581 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -77.37 -34.19 55.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.163 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -81.14 10.67 4.99 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -159.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.29 -122.28 3.4 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 105.907 -2.877 . . . . 0.0 105.907 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.36 152.5 7.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 127.912 2.485 . . . . 0.0 110.614 0.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -139.23 75.46 1.52 Allowed 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 113.638 -1.619 . . . . 0.0 106.818 155.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.14 -34.19 10.42 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 127.37 2.268 . . . . 0.0 111.899 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -60.16 -9.68 3.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.868 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -152.71 5.23 0.37 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.848 1.203 . . . . 0.0 113.923 162.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.64 -35.38 20.98 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 120.15 1.341 . . . . 0.0 112.691 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.2 mttt . . . . . 0 N--CA 1.47 0.556 0 CA-C-N 119.446 1.021 . . . . 0.0 113.157 173.328 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -34.42 -53.22 0.51 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 128.898 2.879 . . . . 0.0 114.994 -167.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -49.39 -43.76 44.51 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 126.122 1.769 . . . . 0.0 113.268 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' B' ' 6' ' ' ARG . 36.3 p90 -105.01 -12.61 16.09 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.636 1.174 . . . . 0.0 112.385 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -73.56 31.99 0.07 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.649 1.18 . . . . 0.0 112.003 169.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' B' ' 4' ' ' PHE . 4.4 mmp_? -47.91 134.93 12.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.344 2.658 . . . . 0.0 109.309 163.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -57.23 -36.9 71.48 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -166.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.8 m -85.95 136.96 33.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.175 0.99 . . . . 0.0 111.041 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.401 ' HA3' ' CG ' ' B' ' 10' ' ' TYR . . . 164.46 -120.07 0.91 Allowed Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 104.525 -3.43 . . . . 0.0 104.525 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.401 ' CG ' ' HA3' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -169.58 148.78 3.78 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.646 2.778 . . . . 0.0 110.43 -8.741 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -140.65 60.02 1.54 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.908 2.083 . . . . 0.0 105.698 167.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.43 -40.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 128.982 2.913 . . . . 0.0 113.794 -166.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -72.98 -3.0 23.28 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.249 -0.881 . . . . 0.0 113.169 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . 0.268 0.7 OUTLIER -148.31 29.24 0.87 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.686 1.13 . . . . 0.0 112.445 152.708 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -120.34 -179.19 3.88 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 126.54 1.936 . . . . 0.0 109.73 165.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 pttt . . . . . 0 C--O 1.225 -0.188 0 C-N-CA 124.773 1.229 . . . . 0.0 110.618 -171.81 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -31.69 -48.38 0.14 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.889 2.876 . . . . 0.0 116.395 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.9 -20.79 64.14 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.628 1.171 . . . . 0.0 113.763 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -102.27 -11.1 18.97 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.494 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -71.44 26.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.097 1.359 . . . . 0.0 112.135 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -81.52 167.2 19.58 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 126.964 2.106 . . . . 0.0 111.925 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.68 -20.51 64.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.657 1.183 . . . . 0.0 112.936 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -56.35 -27.8 57.11 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 127.936 2.494 . . . . 0.0 116.074 -165.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.26 -112.55 2.25 Favored Glycine 0 C--O 1.222 -0.632 0 N-CA-C 106.512 -2.635 . . . . 0.0 106.512 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.23 155.76 8.15 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.057 2.143 . . . . 0.0 110.794 -5.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -140.51 77.34 1.6 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 160.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.26 -28.13 25.29 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 126.25 1.82 . . . . 0.0 112.422 -162.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -68.83 -10.4 56.66 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.613 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.34 -30.22 23.86 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.191 1.814 . . . . 0.0 112.653 165.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.88 -30.51 45.0 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.465 0.575 . . . . 0.0 111.713 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? . . . . . 0 N--CA 1.454 -0.257 0 C-N-CA 124.156 0.982 . . . . 0.0 110.611 -178.465 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.6 t0 . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.16 75.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.328 1.451 . . . . 0.0 112.58 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.77 -15.41 29.36 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 126.779 2.032 . . . . 0.0 114.997 174.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -103.56 -23.67 13.47 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.284 169.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 -73.61 48.31 0.26 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 110.566 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.4 161.1 14.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 129.194 2.998 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.85 -23.56 62.35 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.5 m -58.99 -12.25 4.38 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.042 1.737 . . . . 0.0 115.658 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.05 -123.97 2.64 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 105.914 -2.874 . . . . 0.0 105.914 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.71 163.33 29.77 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.842 2.057 . . . . 0.0 110.64 -3.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -142.07 64.17 1.39 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 126.135 1.774 . . . . 0.0 106.739 163.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -46.64 -34.19 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 C-N-CA 129.133 2.973 . . . . 0.0 114.003 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -66.48 -12.88 59.63 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.087 0.858 . . . . 0.0 113.297 -169.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -151.87 -6.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -94.2 159.39 15.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.719 1.145 . . . . 0.0 110.636 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 124.827 1.251 . . . . 0.0 112.557 -164.838 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 N--CA 1.462 0.138 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.85 78.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.022 0.929 . . . . 0.0 111.472 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.04 -10.09 57.51 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -104.89 -22.83 13.09 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.811 0.845 . . . . 0.0 111.588 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -75.71 44.23 0.28 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 110.446 168.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -86.37 174.87 8.74 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 128.704 2.802 . . . . 0.0 110.371 169.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -67.84 -12.35 60.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 m -60.99 -9.05 3.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.279 2.232 . . . . 0.0 116.046 -166.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.04 -120.02 1.11 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.7 -2.16 . . . . 0.0 107.7 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.78 153.68 7.44 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 121.247 2.524 . . . . 0.0 111.581 5.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -128.0 88.54 2.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 146.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.15 -13.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.966 1.706 . . . . 0.0 112.658 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.82 -18.32 54.9 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.455 171.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -90.52 -26.49 19.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 120.469 1.486 . . . . 0.0 112.884 167.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -71.09 -47.67 56.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.213 0.915 . . . . 0.0 110.507 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 N--CA 1.453 -0.288 0 C-N-CA 125.47 1.508 . . . . 0.0 109.36 -171.297 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -40.8 -58.46 1.66 Allowed 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.527 1.931 . . . . 0.0 114.777 -163.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.44 -37.55 57.14 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.995 1.318 . . . . 0.0 114.199 -170.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -109.35 -11.4 14.86 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.891 1.277 . . . . 0.0 112.99 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -79.05 65.96 4.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 107.411 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.22 149.75 22.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.132 1.773 . . . . 0.0 111.002 -168.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.3 -12.31 56.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.257 1.423 . . . . 0.0 111.506 174.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -57.22 -12.17 2.16 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.828 1.251 . . . . 0.0 114.014 -173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.37 -102.1 2.72 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 106.549 -2.62 . . . . 0.0 106.549 168.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.94 162.54 6.01 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 121.744 2.772 . . . . 0.0 111.098 0.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.72 77.95 1.39 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 154.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.04 -18.56 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 127.451 2.3 . . . . 0.0 114.757 -162.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -65.52 -11.87 47.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.489 1.041 . . . . 0.0 113.735 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -88.46 -5.71 58.08 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 116.714 -1.613 . . . . 0.0 113.557 173.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -106.59 156.58 18.45 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 121.161 1.801 . . . . 0.0 112.6 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? . . . . . 0 CA--C 1.535 0.395 0 C-N-CA 129.212 3.005 . . . . 0.0 112.195 -176.644 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.91 -50.17 19.25 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.796 2.039 . . . . 0.0 112.769 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -63.17 -11.9 24.03 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.57 -17.35 13.44 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 125.46 1.504 . . . . 0.0 111.856 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -76.51 46.58 0.44 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.863 0.865 . . . . 0.0 110.516 164.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -86.88 159.42 19.06 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 127.197 2.199 . . . . 0.0 108.946 170.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.56 -18.6 62.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.076 0.95 . . . . 0.0 112.758 165.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m -79.93 22.95 0.47 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -165.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.77 -124.7 2.08 Favored Glycine 0 C--N 1.341 0.831 0 N-CA-C 108.205 -1.958 . . . . 0.0 108.205 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.17 151.44 4.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.23 2.612 . . . . 0.0 111.097 -1.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -130.76 100.81 5.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 138.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.83 -17.35 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.502 1.921 . . . . 0.0 111.829 -177.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -61.96 -26.65 68.33 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.66 -0.686 . . . . 0.0 111.042 172.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -95.32 -13.3 24.9 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.034 -0.984 . . . . 0.0 113.604 171.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -60.43 -37.62 81.49 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.851 1.205 . . . . 0.0 109.882 158.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 CA--C 1.532 0.274 0 C-N-CA 126.623 1.969 . . . . 0.0 112.427 173.68 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.816 0.341 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.81 -97.16 0.16 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.085 0.954 . . . . 0.0 109.501 -177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -47.33 -46.11 25.14 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -153.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -93.75 -24.3 17.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.49 -0.766 . . . . 0.0 111.984 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.09 60.15 5.34 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 122.521 1.153 . . . . 0.0 108.897 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -84.95 159.84 20.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 128.043 2.537 . . . . 0.0 110.081 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.93 -39.07 72.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.131 1.372 . . . . 0.0 113.057 -174.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -84.94 139.42 31.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.976 0.91 . . . . 0.0 109.931 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.73 -127.65 2.42 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 105.356 -3.098 . . . . 0.0 105.356 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 153.29 5.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 129.252 3.021 . . . . 0.0 110.017 -5.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.94 69.12 1.36 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 125.143 1.377 . . . . 0.0 107.738 156.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.3 t -40.19 -40.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.233 0 C-N-CA 129.836 3.255 . . . . 0.0 113.707 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -79.79 4.04 17.64 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -166.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -152.81 -1.24 0.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 150.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.13 140.46 33.79 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 120.341 1.428 . . . . 0.0 109.799 162.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt . . . . . 0 CA--C 1.536 0.427 0 C-N-CA 126.114 1.766 . . . . 0.0 112.123 -176.064 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.77 -21.47 62.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.438 0.695 . . . . 0.0 112.778 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -138.1 -39.51 0.54 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.942 -143.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -99.92 -24.42 14.65 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 113.594 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -78.73 63.65 3.54 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 109.097 173.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -98.32 141.86 30.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.732 2.013 . . . . 0.0 110.193 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.78 -35.12 72.43 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 119.116 -0.469 . . . . 0.0 111.615 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -72.19 7.32 1.75 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.95 -124.89 5.46 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 105.279 -3.128 . . . . 0.0 105.279 158.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.67 157.34 2.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 128.784 2.834 . . . . 0.0 108.837 -1.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -131.55 88.58 2.59 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 146.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.73 -18.6 19.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 125.378 1.471 . . . . 0.0 111.721 -175.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -69.01 -16.0 63.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 117.742 -1.123 . . . . 0.0 113.185 -173.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -90.11 -21.89 22.05 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.328 0.967 . . . . 0.0 112.368 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -86.87 -30.67 21.25 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.137 0.975 . . . . 0.0 111.713 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt . . . . . 0 N--CA 1.455 -0.218 0 C-N-CA 125.167 1.387 . . . . 0.0 110.533 175.614 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.531 0.233 0 CA-C-O 121.521 0.677 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.9 2.13 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 127.78 2.432 . . . . 0.0 114.438 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -63.72 -20.63 65.89 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -114.15 6.3 16.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.53 1.059 . . . . 0.0 112.355 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -79.0 48.83 0.88 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.124 1.37 . . . . 0.0 109.597 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -109.83 169.14 8.91 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 125.736 1.615 . . . . 0.0 113.09 -158.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -62.39 -20.64 64.65 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.993 1.317 . . . . 0.0 112.576 165.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -67.67 7.64 0.47 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.11 2.164 . . . . 0.0 115.65 -164.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.0 -106.95 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 107.484 -2.246 . . . . 0.0 107.484 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.49 149.35 9.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 120.954 2.377 . . . . 0.0 111.375 -7.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -124.12 121.83 36.22 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 132.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -86.7 -22.8 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.968 1.307 . . . . 0.0 110.414 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -62.38 -29.1 70.23 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -156.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -140.44 31.1 1.91 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.408 1.483 . . . . 0.0 110.362 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.36 160.38 21.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.042 0.937 . . . . 0.0 112.998 -170.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.224 -0.28 0 C-N-CA 123.466 0.706 . . . . 0.0 109.863 -178.781 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.15 -73.84 0.63 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.701 1.6 . . . . 0.0 111.712 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -55.33 -36.17 65.95 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -158.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -109.14 -10.86 14.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.626 1.17 . . . . 0.0 112.4 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HD2' HG11 ' A' ' 12' ' ' VAL . 46.0 mmm-85 -74.17 62.1 0.9 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.769 1.628 . . . . 0.0 108.343 167.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -103.89 149.75 24.8 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.481 1.512 . . . . 0.0 110.305 -168.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.47 -22.74 18.69 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.968 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -71.49 3.6 3.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.5 -107.18 2.19 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 104.956 -3.258 . . . . 0.0 104.956 160.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.85 144.98 1.38 Allowed 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 128.056 2.542 . . . . 0.0 108.837 -6.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -123.96 93.11 3.83 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 145.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 5' ' ' ARG . 24.0 t -64.57 -29.83 48.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 C-N-CA 123.908 0.883 . . . . 0.0 110.6 -174.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -67.2 -32.23 73.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -72.69 -33.03 66.22 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.156 0.889 . . . . 0.0 111.934 170.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -84.13 -38.01 21.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 125.64 1.576 . . . . 0.0 111.343 -170.741 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 118.37 -0.824 . . . . 0.0 112.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.59 54.24 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -170.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.16 -25.43 61.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.933 2.093 . . . . 0.0 113.788 174.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -122.54 -21.84 5.6 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.508 1.123 . . . . 0.0 112.693 172.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.23 49.69 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.98 1.712 . . . . 0.0 107.812 160.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -53.09 172.97 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 130.786 3.634 . . . . 0.0 111.687 172.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.32 -37.35 10.08 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.3 0.5 . . . . 0.0 110.807 170.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m -117.98 147.02 43.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.18 1.792 . . . . 0.0 109.783 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.42 -121.6 0.62 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.419 ' CZ ' HG22 ' B' ' 12' ' ' VAL . 0.1 OUTLIER -176.78 158.75 1.7 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 120.764 2.282 . . . . 0.0 110.515 9.516 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -138.6 122.35 17.58 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 118.133 -1.427 . . . . 0.0 107.172 117.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.419 HG22 ' CZ ' ' B' ' 10' ' ' TYR . 84.2 t -57.01 -36.82 52.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 124.876 1.27 . . . . 0.0 110.781 -173.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -69.91 -18.82 63.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.263 -0.875 . . . . 0.0 112.988 -169.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -103.56 -2.92 25.97 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.454 -1.26 . . . . 0.0 113.713 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -94.72 155.75 16.7 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.754 1.161 . . . . 0.0 112.006 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 C--O 1.225 -0.233 0 C-N-CA 124.985 1.314 . . . . 0.0 111.329 -173.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.26 62.56 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.34 1.456 . . . . 0.0 113.921 -174.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.34 -33.48 74.79 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.224 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -97.53 -17.51 19.54 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 116.973 -1.489 . . . . 0.0 114.026 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -75.2 47.19 0.35 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.835 1.654 . . . . 0.0 110.157 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -78.57 150.79 32.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 126.782 2.033 . . . . 0.0 110.021 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.25 -26.51 68.42 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.519 1.128 . . . . 0.0 112.691 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 m -75.11 -1.91 25.17 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -165.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.33 -124.36 2.99 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 107.545 -2.222 . . . . 0.0 107.545 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.68 151.26 9.1 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.977 2.511 . . . . 0.0 110.36 -1.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -130.25 82.84 2.08 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 157.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.29 -6.99 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.848 2.059 . . . . 0.0 113.35 -170.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -60.93 -19.76 61.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.462 1.028 . . . . 0.0 111.622 167.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -84.11 0.83 46.88 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -127.21 -43.08 1.66 Allowed 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 112.518 -173.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt . . . . . 0 CA--C 1.531 0.229 0 C-N-CA 125.607 1.563 . . . . 0.0 109.848 -178.169 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--O 1.225 -0.227 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.06 -41.82 2.7 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 127.982 2.513 . . . . 0.0 114.177 -170.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.77 -35.38 61.24 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 117.404 -1.284 . . . . 0.0 113.863 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.4 ' C ' ' H ' ' B' ' 6' ' ' ARG . 37.0 p90 -112.96 -19.88 11.76 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.652 1.115 . . . . 0.0 112.198 172.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.89 50.25 0.99 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.9 1.68 . . . . 0.0 108.824 164.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' B' ' 4' ' ' PHE . 5.9 mmp_? -61.49 155.4 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 129.869 3.268 . . . . 0.0 110.374 172.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.12 -19.78 12.92 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.878 1.271 . . . . 0.0 113.265 -169.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -80.21 82.17 6.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.124 0.875 . . . . 0.0 110.19 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.12 -109.54 0.28 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.43 161.9 19.07 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 128.795 2.838 . . . . 0.0 110.044 -9.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.2 86.09 1.35 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 155.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.91 -26.7 36.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 126.427 1.891 . . . . 0.0 113.809 -162.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -60.82 -20.94 62.6 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.945 1.248 . . . . 0.0 113.129 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.37 1.46 51.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.885 1.274 . . . . 0.0 112.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -149.77 175.54 11.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.174 1.389 . . . . 0.0 110.66 -158.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 123.609 0.764 . . . . 0.0 112.203 173.264 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -36.53 -59.69 0.64 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 127.253 2.221 . . . . 0.0 114.932 -159.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.52 -37.12 16.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.922 1.689 . . . . 0.0 115.017 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -112.8 -12.6 13.31 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.444 1.098 . . . . 0.0 112.93 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.08 60.89 3.75 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.107 1.763 . . . . 0.0 109.358 168.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -85.79 151.39 23.86 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.589 1.956 . . . . 0.0 110.561 -171.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.56 -9.04 55.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.574 1.949 . . . . 0.0 112.685 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -65.59 -11.5 44.78 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.17 -108.04 1.59 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.39 162.53 10.34 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 127.605 2.362 . . . . 0.0 109.438 6.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -139.1 83.84 1.97 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 151.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.55 -20.59 19.01 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 126.017 1.727 . . . . 0.0 112.364 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -62.08 -24.42 67.1 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 120.433 1.47 . . . . 0.0 112.476 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.5 -27.1 21.68 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.648 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -61.63 -48.7 79.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.674 1.124 . . . . 0.0 108.839 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 N--CA 1.449 -0.488 0 C-N-CA 124.888 1.275 . . . . 0.0 109.445 172.275 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.28 -22.3 4.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.216 1.806 . . . . 0.0 115.395 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.88 -41.91 98.43 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.124 0.874 . . . . 0.0 111.318 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.23 -8.28 7.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.475 1.11 . . . . 0.0 113.5 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.43 ' HD2' HG11 ' B' ' 12' ' ' VAL . 44.5 mmm-85 -80.27 77.8 6.99 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.271 1.428 . . . . 0.0 108.175 167.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -122.92 166.02 15.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.731 2.012 . . . . 0.0 111.634 -160.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.42 -18.08 64.36 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.908 1.283 . . . . 0.0 112.034 164.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.9 m -63.12 -3.45 1.77 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 127.404 2.281 . . . . 0.0 116.575 -161.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.18 -99.31 0.86 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 106.497 -2.641 . . . . 0.0 106.497 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.79 159.53 18.65 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 120.164 1.982 . . . . 0.0 111.857 -3.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -151.02 75.46 1.2 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 147.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.43 HG11 ' HD2' ' B' ' 5' ' ' ARG . 73.7 t -39.68 -44.27 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 128.272 2.629 . . . . 0.0 114.226 -160.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -59.66 -22.56 62.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.762 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -153.08 -0.25 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -125.57 156.82 38.51 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 120.424 1.465 . . . . 0.0 111.728 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt . . . . . 0 C--O 1.223 -0.295 0 C-N-CA 127.679 2.392 . . . . 0.0 112.078 -168.066 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--O 1.224 -0.254 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.28 83.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.316 0.962 . . . . 0.0 112.336 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.29 -9.29 46.59 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.434 1.494 . . . . 0.0 114.714 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' ARG . 19.6 m-85 -111.59 -21.58 11.66 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 124.152 0.981 . . . . 0.0 112.575 170.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 46.06 0.36 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.996 1.718 . . . . 0.0 109.267 166.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' PHE . 5.4 mmp_? -70.68 179.95 2.4 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.055 2.542 . . . . 0.0 110.048 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.19 -46.68 82.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.7 m -147.79 152.01 36.98 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 124.531 1.132 . . . . 0.0 111.983 -165.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.02 -120.52 0.92 Allowed Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 106.705 -2.558 . . . . 0.0 106.705 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.31 156.69 7.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.98 2.912 . . . . 0.0 109.152 -8.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -134.52 91.95 2.85 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 143.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.96 -18.76 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.855 2.062 . . . . 0.0 113.599 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -57.56 -38.71 75.25 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.009 0.924 . . . . 0.0 110.947 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.583 ' CE1' HE21 ' B' ' 15' ' ' GLN . 63.5 m-70 -83.99 -16.6 43.42 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.552 174.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.95 -41.23 68.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 120.138 1.335 . . . . 0.0 111.617 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 122.633 0.373 . . . . 0.0 110.851 172.728 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -38.59 -38.72 0.42 Allowed 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 128.556 2.742 . . . . 0.0 115.894 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.14 -34.06 59.45 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 124.886 1.274 . . . . 0.0 113.945 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -113.99 -22.59 10.0 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.317 0.962 . . . . 0.0 111.252 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -77.85 62.23 2.65 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 122.665 1.221 . . . . 0.0 108.593 161.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -74.12 132.32 42.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.862 2.465 . . . . 0.0 109.778 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -66.53 -21.54 66.16 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.998 169.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.4 m -62.3 -11.81 17.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.43 -115.55 3.88 Favored Glycine 0 C--N 1.341 0.808 0 N-CA-C 106.211 -2.756 . . . . 0.0 106.211 166.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.82 161.68 11.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 127.664 2.385 . . . . 0.0 110.806 -4.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -146.42 75.61 1.41 Allowed 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 158.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -49.24 -30.21 4.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 127.731 2.412 . . . . 0.0 113.096 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.93 -20.47 65.24 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -162.05 -11.29 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 173.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.583 HE21 ' CE1' ' A' ' 14' ' ' HIS . 18.6 mm-40 -109.78 149.53 29.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 120.438 1.472 . . . . 0.0 110.947 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttp . . . . . 0 CA--C 1.534 0.356 0 C-N-CA 124.469 1.108 . . . . 0.0 112.866 -179.543 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.8 t0 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 111.268 0.099 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.0 -52.92 8.33 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 126.646 1.979 . . . . 0.0 114.503 -161.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.73 -13.68 16.48 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 p90 -130.04 -3.33 4.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.68 1.192 . . . . 0.0 112.258 171.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -79.67 51.0 1.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.765 0.826 . . . . 0.0 108.831 155.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.55 161.2 14.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.784 2.034 . . . . 0.0 109.87 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -75.06 -21.37 59.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -69.21 0.1 5.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -167.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.29 -132.18 4.73 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 108.071 -2.012 . . . . 0.0 108.071 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.64 160.9 17.93 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.231 2.016 . . . . 0.0 111.816 5.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -138.42 100.72 4.18 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 136.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.82 -26.18 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 125.686 1.594 . . . . 0.0 110.997 -174.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -59.43 -40.25 86.12 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.648 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -81.21 -37.84 27.98 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 120.023 1.283 . . . . 0.0 112.179 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.21 -35.26 73.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HE3' ' CG ' ' A' ' 4' ' ' PHE . 71.6 mmtt . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 122.898 0.479 . . . . 0.0 111.366 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.27 0.081 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.51 84.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.919 0.887 . . . . 0.0 111.523 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -57.26 -18.3 15.72 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.368 1.867 . . . . 0.0 114.506 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -113.71 -13.76 12.65 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 124.328 1.051 . . . . 0.0 113.692 174.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.428 ' HD2' HG21 ' B' ' 12' ' ' VAL . 8.9 mmm180 -79.19 55.84 1.92 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.515 1.126 . . . . 0.0 108.887 167.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -91.59 -11.17 37.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.45 1.5 . . . . 0.0 113.697 -171.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -173.17 164.78 4.85 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.51 0.724 . . . . 0.0 110.743 -161.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.1 m -57.72 130.04 44.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.657 0.383 . . . . 0.0 109.975 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.06 -126.53 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.83 162.21 39.71 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 128.185 2.594 . . . . 0.0 109.073 -7.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -143.82 71.45 1.32 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 159.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.428 HG21 ' HD2' ' B' ' 5' ' ' ARG . 2.5 t -52.22 -19.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.269 0 C-N-CA 127.277 2.231 . . . . 0.0 114.206 -166.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -59.78 -19.49 50.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.681 1.128 . . . . 0.0 113.097 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.9 -29.49 17.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 120.77 1.623 . . . . 0.0 112.923 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -68.88 -43.22 75.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.479 1.112 . . . . 0.0 110.703 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 tttp . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 127.428 2.291 . . . . 0.0 113.621 -168.747 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.224 -0.253 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.43 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 123.795 0.838 . . . . 0.0 113.161 -158.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.52 -21.82 53.44 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 173.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -100.33 -16.71 17.57 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 125.266 1.427 . . . . 0.0 112.952 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -70.94 21.92 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.618 1.167 . . . . 0.0 112.556 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -72.6 159.75 33.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.519 1.927 . . . . 0.0 109.946 173.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -70.09 -24.83 63.28 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.248 1.419 . . . . 0.0 113.136 171.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.8 m -78.46 62.1 3.0 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.317 1.447 . . . . 0.0 112.924 -169.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.38 -123.16 0.69 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 168.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.21 149.56 5.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 120.759 2.28 . . . . 0.0 111.387 1.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -131.78 88.66 2.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.618 -1.174 . . . . 0.0 107.883 149.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.59 -20.47 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 127.106 2.163 . . . . 0.0 113.523 -170.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.99 -39.23 88.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.951 0.796 . . . . 0.0 110.737 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -74.09 -26.18 60.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 118.276 -0.868 . . . . 0.0 112.11 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -68.89 -43.22 75.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 118.925 0.784 . . . . 0.0 111.134 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt . . . . . 0 C--O 1.223 -0.309 0 C-N-CA 125.549 1.54 . . . . 0.0 112.474 -175.896 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -39.88 -42.5 1.33 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.654 1.981 . . . . 0.0 111.545 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.1 -23.39 54.66 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 125.363 1.465 . . . . 0.0 113.851 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -102.25 -13.11 17.52 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.695 1.134 . . . . 0.0 112.651 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -76.3 27.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.734 0.814 . . . . 0.0 111.957 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.83 155.99 38.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.308 1.843 . . . . 0.0 110.646 174.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.23 -13.78 60.87 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.394 0.678 . . . . 0.0 112.665 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -64.55 -14.12 55.99 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -163.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.23 -127.16 2.99 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 107.401 -2.28 . . . . 0.0 107.401 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.9 155.36 3.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.988 2.394 . . . . 0.0 111.279 13.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -133.53 93.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 106.025 -1.842 . . . . 0.0 106.025 150.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.13 -36.3 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.992 1.317 . . . . 0.0 111.727 -170.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -69.4 -20.09 63.81 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -164.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -145.86 53.13 1.15 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 164.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -55.25 163.12 1.22 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.659 1.583 . . . . 0.0 112.285 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 mttt . . . . . 0 N--CA 1.455 -0.179 0 C-N-CA 123.761 0.825 . . . . 0.0 111.811 178.482 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.09 -47.55 45.1 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 126.331 1.852 . . . . 0.0 113.209 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.86 -4.8 13.86 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -111.47 -15.75 13.46 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.674 1.19 . . . . 0.0 112.34 170.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -74.05 35.82 0.09 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.507 1.049 . . . . 0.0 111.203 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -82.07 165.55 20.51 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.653 1.981 . . . . 0.0 111.835 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -77.26 -29.2 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.444 0.698 . . . . 0.0 112.725 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 m -86.51 64.01 8.3 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.849 0.749 . . . . 0.0 111.864 -173.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.17 -130.67 1.2 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 172.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 144.21 6.27 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.644 2.377 . . . . 0.0 110.135 -1.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -127.52 78.82 1.85 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 156.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -49.09 -39.04 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 C-N-CA 128.352 2.661 . . . . 0.0 114.958 -159.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -66.0 -25.55 67.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.857 -170.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -73.02 -10.7 60.08 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 117.935 -1.031 . . . . 0.0 113.677 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -60.93 -30.02 69.96 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.885 1.22 . . . . 0.0 112.084 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt . . . . . 0 C--O 1.222 -0.363 0 C-N-CA 124.746 1.218 . . . . 0.0 112.988 171.555 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.79 -44.93 66.94 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.763 1.225 . . . . 0.0 113.913 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -55.87 -35.33 66.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -167.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -106.95 -4.58 18.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 118.137 -0.935 . . . . 0.0 113.304 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 tpp85 -71.06 79.55 0.67 Allowed 'General case' 0 C--N 1.347 0.457 0 C-N-CA 125.044 1.338 . . . . 0.0 108.475 161.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -122.57 157.95 30.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.033 1.733 . . . . 0.0 110.956 -168.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.63 -31.49 28.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.585 0.754 . . . . 0.0 112.854 -176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m -80.44 76.36 7.27 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.732 0.813 . . . . 0.0 112.133 -166.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.03 -103.62 0.17 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 107.032 -2.427 . . . . 0.0 107.032 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.8 156.54 6.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.022 2.529 . . . . 0.0 110.547 -10.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -138.49 96.39 3.16 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.639 135.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 t -60.54 -32.07 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.633 0.773 . . . . 0.0 111.862 -169.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -62.77 -14.77 48.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -165.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.49 -10.38 27.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -96.8 165.59 12.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 121.485 1.948 . . . . 0.0 112.767 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--O 1.225 -0.191 0 C-N-CA 126.319 1.848 . . . . 0.0 110.808 174.702 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -137.21 149.47 47.22 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.331 1.052 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.27 77.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -155.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -27.0 67.34 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -116.72 -11.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.523 1.129 . . . . 0.0 113.646 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -73.96 70.48 1.5 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 122.619 1.199 . . . . 0.0 108.557 159.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -105.61 147.99 27.82 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 127.486 2.314 . . . . 0.0 107.756 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.8 -20.11 53.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.363 1.865 . . . . 0.0 111.598 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 m -84.02 12.92 5.56 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.072 1.349 . . . . 0.0 113.825 -165.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -122.57 3.41 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 104.651 -3.38 . . . . 0.0 104.651 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.92 156.81 9.41 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.895 2.478 . . . . 0.0 109.427 -4.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.1 102.68 7.07 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 135.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.87 -17.92 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 125.437 1.495 . . . . 0.0 113.079 -172.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -61.15 -19.02 61.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.13 4.23 36.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.752 1.221 . . . . 0.0 113.549 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -122.38 169.53 10.86 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.392 1.477 . . . . 0.0 112.005 167.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -115.8 -36.61 4.13 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.252 -164.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 O-C-N 121.141 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -95.0 159.88 14.82 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.422 1.089 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.8 -33.68 50.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 126.245 1.818 . . . . 0.0 114.858 -167.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -67.95 -33.83 75.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.333 1.053 . . . . 0.0 111.597 -171.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -119.04 -2.45 10.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.414 1.485 . . . . 0.0 114.682 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.477 ' HD2' HG11 ' B' ' 12' ' ' VAL . 33.4 mmm-85 -74.01 77.11 1.7 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.992 1.317 . . . . 0.0 108.245 153.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -123.3 152.02 41.83 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.108 2.563 . . . . 0.0 109.345 -173.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.96 -7.91 56.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.668 0.787 . . . . 0.0 112.922 166.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -76.33 15.14 0.63 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.786 1.635 . . . . 0.0 114.125 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.47 -108.5 1.07 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 105.2 -3.16 . . . . 0.0 105.2 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.72 152.99 1.69 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.213 2.605 . . . . 0.0 109.646 -4.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -140.86 82.75 1.86 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 154.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' B' ' 5' ' ' ARG . 94.1 t -55.79 -25.47 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 C-N-CA 127.663 2.385 . . . . 0.0 112.678 -161.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -63.34 -20.09 65.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.682 0.614 . . . . 0.0 112.572 -167.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -150.57 10.5 0.65 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 169.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.62 161.79 13.36 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.802 1.241 . . . . 0.0 110.507 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -140.09 166.5 24.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.813 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.786 -0.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -68.31 149.91 48.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.324 0.65 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.85 62.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.056 1.342 . . . . 0.0 111.812 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.67 -13.2 61.67 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CD1' ' HG2' ' A' ' 15' ' ' GLN . 18.3 m-85 -105.76 -21.27 13.21 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.598 1.09 . . . . 0.0 112.507 173.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -75.67 63.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.2 1.0 . . . . 0.0 109.079 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -98.88 154.38 18.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.859 2.464 . . . . 0.0 109.973 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.55 -41.93 96.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 112.329 171.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.8 m -83.69 67.67 9.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.385 1.474 . . . . 0.0 112.015 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.96 -137.37 2.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.26 156.49 5.79 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.759 3.223 . . . . 0.0 107.31 -1.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -136.81 100.2 4.25 Favored 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 147.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.5 -15.13 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.351 1.46 . . . . 0.0 112.956 -166.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -58.03 -24.96 60.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -100.33 6.92 44.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.942 0.897 . . . . 0.0 112.648 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.403 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 66.2 tp60 -78.47 -77.75 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.359 0.981 . . . . 0.0 110.214 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -75.52 -24.73 56.84 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -170.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 119.399 0.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -112.04 -16.16 13.13 Favored 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 126.39 1.876 . . . . 0.0 113.558 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.74 -37.75 6.27 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.02 1.728 . . . . 0.0 113.773 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -54.7 -34.92 63.04 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 126.014 1.725 . . . . 0.0 113.723 -177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -109.72 -16.13 13.98 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.917 172.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mmm-85 -81.76 52.37 1.9 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 122.302 1.048 . . . . 0.0 109.843 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.48 152.54 43.9 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.365 2.666 . . . . 0.0 109.888 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -63.8 -40.11 95.86 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.402 1.081 . . . . 0.0 113.256 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.9 m -84.95 121.16 27.36 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.84 0.856 . . . . 0.0 109.16 -167.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.85 -134.86 4.07 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 107.655 -2.178 . . . . 0.0 107.655 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.05 147.43 5.58 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.614 2.365 . . . . 0.0 110.265 -3.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -134.24 74.31 1.53 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.614 1.166 . . . . 0.0 108.062 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.18 -27.66 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 128.083 2.553 . . . . 0.0 114.747 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.04 -11.26 56.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -82.59 -20.56 36.24 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.95 146.45 35.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 119.509 1.05 . . . . 0.0 113.275 -158.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -130.24 -4.05 4.4 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.122 2.169 . . . . 0.0 111.491 -169.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.011 0 O-C-N 121.017 -1.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.006 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.18 169.53 2.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.725 1.61 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.95 -38.61 76.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.48 1.112 . . . . 0.0 113.446 -169.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.16 -11.32 8.56 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.211 1.804 . . . . 0.0 114.776 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -107.7 -26.87 10.63 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 125.194 1.398 . . . . 0.0 112.085 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -67.73 17.87 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 113.085 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -53.11 141.7 22.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 126.517 1.927 . . . . 0.0 111.193 170.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.47 -20.75 65.52 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.457 1.103 . . . . 0.0 111.176 167.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -63.29 -0.82 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.291 1.836 . . . . 0.0 114.888 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 -120.99 2.58 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 107.317 -2.313 . . . . 0.0 107.317 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.54 145.46 1.59 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 120.894 2.347 . . . . 0.0 111.229 2.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -129.07 82.45 2.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 152.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.57 -26.78 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 128.618 2.767 . . . . 0.0 113.694 -166.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -54.25 -28.71 43.24 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -91.58 1.56 57.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.379 1.445 . . . . 0.0 114.506 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -135.46 -67.65 0.53 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.591 1.156 . . . . 0.0 109.074 -174.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.291 0.1 OUTLIER 56.43 6.05 0.24 Allowed 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 127.766 2.426 . . . . 0.0 114.574 174.537 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 120.714 1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.7 154.37 5.07 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.162 2.185 . . . . 0.0 113.289 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.95 -42.59 59.88 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 125.973 1.709 . . . . 0.0 113.121 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.37 -17.01 51.97 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -106.27 -12.45 15.7 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.461 1.504 . . . . 0.0 112.603 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -76.05 51.22 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.044 1.338 . . . . 0.0 110.33 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.79 172.53 8.57 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.829 2.452 . . . . 0.0 110.742 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -71.72 -33.0 68.36 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -168.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -115.06 129.62 56.74 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.497 1.044 . . . . 0.0 113.24 -171.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.402 ' HA3' ' CG ' ' B' ' 10' ' ' TYR . . . 156.19 -129.34 2.43 Favored Glycine 0 CA--C 1.533 1.16 0 N-CA-C 105.951 -2.859 . . . . 0.0 105.951 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.402 ' CG ' ' HA3' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -175.81 145.4 0.68 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 122.276 3.038 . . . . 0.0 110.184 -1.706 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -128.07 107.3 9.7 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 140.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.67 -18.45 23.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 125.934 1.693 . . . . 0.0 113.012 -168.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -62.47 -23.64 67.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.097 -0.477 . . . . 0.0 111.556 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -91.97 -13.84 30.45 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.221 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -55.83 -34.62 65.56 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 119.591 1.087 . . . . 0.0 111.836 173.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -130.49 168.96 16.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.969 1.708 . . . . 0.0 109.589 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 120.745 -1.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.52 117.36 5.19 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 123.606 0.762 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.66 93.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.898 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.34 -23.58 49.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.15 0.98 . . . . 0.0 112.893 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -96.96 -17.75 19.89 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 18.62 0.13 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.925 1.238 . . . . 0.0 113.636 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.09 162.91 25.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.178 2.191 . . . . 0.0 113.958 -165.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.92 -14.83 17.47 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.299 1.44 . . . . 0.0 112.661 165.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -61.9 -2.64 0.92 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.491 2.316 . . . . 0.0 114.436 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.83 -118.17 0.95 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 106.674 -2.571 . . . . 0.0 106.674 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.82 146.04 5.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.903 2.352 . . . . 0.0 112.141 3.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.19 89.93 2.57 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 150.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -53.92 -26.07 13.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 126.205 1.802 . . . . 0.0 112.076 -166.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -66.72 -13.82 61.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.22 -3.4 56.98 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.597 1.09 . . . . 0.0 113.176 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -122.66 -32.09 3.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.62 1.168 . . . . 0.0 110.93 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -130.1 166.26 20.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.885 1.674 . . . . 0.0 109.377 170.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 O-C-N 121.309 -0.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.448 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.0 162.7 25.76 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.888 1.675 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.43 86.95 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.605 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.44 -9.19 23.46 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -102.55 -25.77 13.47 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 116.871 -1.538 . . . . 0.0 113.6 171.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -71.22 45.94 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.724 1.61 . . . . 0.0 111.089 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.31 162.52 14.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.763 2.825 . . . . 0.0 110.683 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.22 -27.64 63.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.151 0.98 . . . . 0.0 112.72 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.9 m -72.88 94.82 1.87 Allowed 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 123.658 0.783 . . . . 0.0 110.852 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.5 -121.77 1.44 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 104.524 -3.43 . . . . 0.0 104.524 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.89 4.94 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.832 2.453 . . . . 0.0 109.978 -9.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.37 92.78 3.23 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 147.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.9 t -55.9 -19.71 7.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 126.215 1.806 . . . . 0.0 112.9 -170.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -56.21 -20.63 18.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 124.921 1.288 . . . . 0.0 113.904 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -109.57 6.1 23.67 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 120.06 1.3 . . . . 0.0 113.138 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -59.11 -38.31 79.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 120.21 1.368 . . . . 0.0 113.455 -169.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -65.93 -22.76 66.51 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.122 2.169 . . . . 0.0 112.895 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.116 0 CA-C-N 119.594 1.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.144 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.85 151.73 31.69 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.635 0.774 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.21 -40.16 73.6 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.42 1.488 . . . . 0.0 112.139 -175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.21 -21.14 21.38 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.875 -1.536 . . . . 0.0 113.71 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -102.07 -13.03 17.68 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.261 1.424 . . . . 0.0 113.494 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -74.22 43.39 0.17 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.714 1.206 . . . . 0.0 110.892 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.9 152.6 20.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.746 2.018 . . . . 0.0 112.053 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.75 -13.37 32.0 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -54.38 -13.99 1.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 127.247 2.219 . . . . 0.0 115.299 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -129.78 1.83 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.03 153.04 4.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.624 2.212 . . . . 0.0 111.483 11.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -134.3 71.21 1.45 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.458 1.503 . . . . 0.0 107.8 161.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.11 -24.96 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 129.637 3.175 . . . . 0.0 115.204 -165.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -73.54 -4.87 36.6 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.262 0.937 . . . . 0.0 112.352 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -89.46 -1.48 58.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.364 1.438 . . . . 0.0 113.524 163.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -131.47 163.18 28.53 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 125.374 1.47 . . . . 0.0 111.088 -167.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.36 -34.17 42.29 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.493 1.117 . . . . 0.0 111.81 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 118.934 0.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.404 ' H1 ' ' CZ ' ' B' ' 4' ' ' PHE . . . . . . . . 0 C--O 1.226 -0.163 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.58 152.68 29.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.718 0.807 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.54 -41.41 21.2 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 126.088 1.755 . . . . 0.0 114.974 -165.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.43 -27.27 69.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.404 ' CZ ' ' H1 ' ' B' ' 0' ' ' ACE . 24.1 p90 -117.18 -11.34 10.69 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.192 0.597 . . . . 0.0 111.758 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -78.15 81.13 4.54 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.268 1.427 . . . . 0.0 107.235 167.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -117.43 177.63 4.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.505 2.322 . . . . 0.0 110.094 -168.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -63.22 -38.28 90.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.915 0.486 . . . . 0.0 111.399 168.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -150.74 172.61 15.31 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.32 2.248 . . . . 0.0 110.764 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.87 -101.21 0.15 Allowed Glycine 0 CA--C 1.534 1.252 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.11 146.41 7.56 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.921 1.86 . . . . 0.0 112.015 -1.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.76 78.07 1.78 Allowed 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 150.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -38.57 -39.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 127.892 2.477 . . . . 0.0 112.934 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -56.94 -27.77 61.45 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 117.039 -1.458 . . . . 0.0 113.918 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -165.48 -2.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -156.31 162.28 40.11 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 121.818 2.099 . . . . 0.0 112.583 -163.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -65.48 -18.51 65.37 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 126.352 1.861 . . . . 0.0 113.286 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 119.737 1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.212 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -63.83 167.86 5.63 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 126.934 2.094 . . . . 0.0 113.47 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.98 -19.51 52.68 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 125.904 1.682 . . . . 0.0 113.75 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -107.2 -17.33 14.18 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 125.357 1.463 . . . . 0.0 112.137 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -72.15 19.74 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.098 0.959 . . . . 0.0 112.339 170.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -58.41 151.15 20.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.686 1.594 . . . . 0.0 110.135 165.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.29 -26.12 68.63 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 166.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.7 m -74.98 90.9 2.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.184 0.994 . . . . 0.0 111.236 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.99 -129.48 2.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 106.117 -2.793 . . . . 0.0 106.117 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.5 155.32 17.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.67 2.788 . . . . 0.0 111.088 -6.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.29 95.19 2.96 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 141.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.33 -16.21 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 126.962 2.105 . . . . 0.0 113.353 -172.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.24 -26.72 68.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.024 0.929 . . . . 0.0 111.979 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -88.88 -11.89 43.34 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.273 1.397 . . . . 0.0 112.448 172.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -84.7 -30.08 25.08 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.175 0.99 . . . . 0.0 111.982 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -165.56 156.74 14.03 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.415 1.486 . . . . 0.0 108.941 -176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.207 -0.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -75.7 -32.97 60.32 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.61 -46.82 40.11 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 124.482 1.113 . . . . 0.0 112.196 -164.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.01 -22.78 61.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 116.158 1.911 . . . . 0.0 116.158 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -116.53 -18.19 10.44 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.162 0.892 . . . . 0.0 111.709 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -77.59 68.63 3.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 162.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -96.98 147.32 24.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.762 2.025 . . . . 0.0 109.892 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -64.5 -16.43 62.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.848 0.859 . . . . 0.0 112.01 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -64.45 4.57 0.36 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.156 2.982 . . . . 0.0 114.676 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.46 -111.4 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 105.888 -2.885 . . . . 0.0 105.888 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.0 145.06 2.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 120.814 2.307 . . . . 0.0 108.971 -2.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.62 71.39 1.47 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 158.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 t -42.62 -38.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 128.634 2.774 . . . . 0.0 113.263 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -65.92 -20.13 66.11 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 117.371 -1.3 . . . . 0.0 113.877 -164.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -140.63 4.55 1.95 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.617 1.098 . . . . 0.0 112.469 164.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.09 -158.9 0.4 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.662 0.785 . . . . 0.0 109.38 161.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -69.3 1.74 3.54 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -173.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.032 0 CA-C-N 120.417 1.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -81.28 174.09 11.86 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.032 1.333 . . . . 0.0 112.795 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.72 87.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.987 1.715 . . . . 0.0 113.405 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.79 -14.3 8.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.811 2.045 . . . . 0.0 114.548 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.88 -11.35 14.69 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 124.368 1.067 . . . . 0.0 112.727 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.75 31.75 0.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.6 1.091 . . . . 0.0 112.08 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -83.86 161.98 20.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 128.095 2.558 . . . . 0.0 111.487 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.67 -17.76 64.7 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.791 -0.568 . . . . 0.0 111.811 164.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 m -65.9 13.57 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.401 2.28 . . . . 0.0 115.541 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.37 -120.05 1.09 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 167.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.16 149.95 2.93 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 120.422 2.111 . . . . 0.0 110.691 4.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.71 90.14 2.67 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 152.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.75 -20.62 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 128.02 2.528 . . . . 0.0 113.994 -167.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.18 -17.38 64.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.419 -0.8 . . . . 0.0 111.119 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -99.3 -9.08 24.04 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.792 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -58.42 -41.75 85.72 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.532 1.06 . . . . 0.0 108.912 155.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -78.4 -7.1 56.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.72 2.008 . . . . 0.0 112.153 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.02 0 O-C-N 120.692 -1.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.232 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -91.91 148.47 22.19 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.38 73.82 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 125.324 1.45 . . . . 0.0 113.318 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.56 -25.13 62.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.118 1.367 . . . . 0.0 113.593 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -96.55 -16.91 20.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 117.8 -1.095 . . . . 0.0 112.076 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -74.9 32.59 0.1 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.564 1.146 . . . . 0.0 112.278 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -83.67 157.69 22.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.416 1.886 . . . . 0.0 109.972 174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.97 -12.53 55.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.086 1.354 . . . . 0.0 112.806 167.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -78.13 59.93 2.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 112.875 -165.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.19 -115.73 0.52 Allowed Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 106.917 -2.473 . . . . 0.0 106.917 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.64 156.42 6.51 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 127.84 2.456 . . . . 0.0 109.341 -0.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -133.21 114.97 14.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 131.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.28 -16.67 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.623 1.169 . . . . 0.0 113.213 -163.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -64.05 -14.81 57.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -139.62 -71.84 0.39 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 119.334 0.97 . . . . 0.0 112.103 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -159.42 161.76 35.61 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 122.333 1.063 . . . . 0.0 112.581 -153.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.08 -30.98 27.57 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.439 1.096 . . . . 0.0 112.814 -175.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 118.987 0.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.443 ' H1 ' ' CG1' ' A' ' 12' ' ' VAL . . . . . . . . 0 C--O 1.223 -0.301 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -69.99 151.58 45.41 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.84 0.856 . . . . 0.0 111.91 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.53 -44.76 69.45 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 125.753 1.621 . . . . 0.0 113.407 -171.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.65 -16.3 37.49 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -105.17 -11.73 16.43 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.374 0.988 . . . . 0.0 113.055 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -71.51 18.72 0.07 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.345 0.975 . . . . 0.0 112.477 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -68.49 170.49 8.98 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.567 1.947 . . . . 0.0 111.598 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.62 -14.01 17.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.516 1.526 . . . . 0.0 114.227 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 m -69.96 -8.32 47.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -166.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.67 -117.66 0.98 Allowed Glycine 0 C--N 1.343 0.958 0 CA-C-N 120.38 1.445 . . . . 0.0 109.744 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.54 147.21 8.78 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 128.256 2.623 . . . . 0.0 110.386 -5.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.43 101.55 6.74 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 141.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' CG1' ' H1 ' ' A' ' 0' ' ' ACE . 60.2 t -62.61 -25.97 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 124.78 1.232 . . . . 0.0 112.038 -174.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -65.16 -12.75 54.45 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -166.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -114.79 12.65 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.499 1.045 . . . . 0.0 112.943 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -135.11 -68.6 0.52 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 120.299 1.409 . . . . 0.0 112.403 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -117.66 155.99 28.95 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 118.54 0.609 . . . . 0.0 111.455 -168.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.605 -0.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -68.05 146.38 53.55 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.819 0.848 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.25 29.61 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 126.653 1.981 . . . . 0.0 114.215 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.86 -34.24 12.21 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.804 2.042 . . . . 0.0 114.438 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -117.44 -8.56 11.0 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.573 1.149 . . . . 0.0 112.759 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.429 ' HE ' ' CG1' ' B' ' 12' ' ' VAL . 20.4 tpp85 -80.7 57.5 2.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.678 1.591 . . . . 0.0 108.424 166.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -88.15 158.79 18.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.464 2.305 . . . . 0.0 110.82 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.73 -11.34 59.07 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.463 0.705 . . . . 0.0 112.619 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.0 m -73.85 36.51 0.09 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.613 1.965 . . . . 0.0 114.307 -170.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.81 -110.27 0.23 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 105.74 -2.944 . . . . 0.0 105.74 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.54 158.15 9.26 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 121.007 2.403 . . . . 0.0 111.373 1.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -140.7 61.45 1.51 Allowed 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.245 1.418 . . . . 0.0 107.72 166.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.429 ' CG1' ' HE ' ' B' ' 5' ' ' ARG . 94.7 t -54.91 -20.6 6.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 112.612 -173.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.2 -13.75 41.19 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -141.24 1.71 1.63 Allowed 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 156.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -93.44 167.59 11.61 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.654 1.115 . . . . 0.0 110.545 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -79.59 13.95 1.84 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.168 0.987 . . . . 0.0 112.977 -171.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 O-C-N 120.298 -1.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.53 160.69 15.52 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.291 1.036 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.23 71.1 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.841 1.256 . . . . 0.0 113.141 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.54 -17.6 62.97 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.302 1.441 . . . . 0.0 113.292 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' ARG . 23.0 m-85 -102.45 -18.16 15.47 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.941 1.296 . . . . 0.0 112.472 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -72.94 37.31 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.827 1.194 . . . . 0.0 112.06 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.0 mmp_? -82.61 167.43 18.31 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.319 2.247 . . . . 0.0 110.581 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -77.37 -34.19 55.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.163 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -81.14 10.67 4.99 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -159.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.29 -122.28 3.4 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 105.907 -2.877 . . . . 0.0 105.907 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.36 152.5 7.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 127.912 2.485 . . . . 0.0 110.614 0.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -139.23 75.46 1.52 Allowed 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 113.638 -1.619 . . . . 0.0 106.818 155.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.14 -34.19 10.42 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 127.37 2.268 . . . . 0.0 111.899 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -60.16 -9.68 3.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.868 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -152.71 5.23 0.37 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.848 1.203 . . . . 0.0 113.923 162.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.64 -35.38 20.98 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 120.15 1.341 . . . . 0.0 112.691 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -153.81 -17.7 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.446 1.021 . . . . 0.0 113.157 173.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 120.586 -1.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.27 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -150.88 147.66 27.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.347 1.859 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -34.42 -53.22 0.51 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 128.898 2.879 . . . . 0.0 114.994 -167.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -49.39 -43.76 44.51 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 126.122 1.769 . . . . 0.0 113.268 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' B' ' 6' ' ' ARG . 36.3 p90 -105.01 -12.61 16.09 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.636 1.174 . . . . 0.0 112.385 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -73.56 31.99 0.07 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.649 1.18 . . . . 0.0 112.003 169.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' B' ' 4' ' ' PHE . 4.4 mmp_? -47.91 134.93 12.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.344 2.658 . . . . 0.0 109.309 163.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -57.23 -36.9 71.48 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -166.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.8 m -85.95 136.96 33.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.175 0.99 . . . . 0.0 111.041 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.401 ' HA3' ' CG ' ' B' ' 10' ' ' TYR . . . 164.46 -120.07 0.91 Allowed Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 104.525 -3.43 . . . . 0.0 104.525 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.401 ' CG ' ' HA3' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -169.58 148.78 3.78 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.646 2.778 . . . . 0.0 110.43 -8.741 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -140.65 60.02 1.54 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.908 2.083 . . . . 0.0 105.698 167.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.43 -40.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 128.982 2.913 . . . . 0.0 113.794 -166.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -72.98 -3.0 23.28 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.249 -0.881 . . . . 0.0 113.169 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . 0.268 0.7 OUTLIER -148.31 29.24 0.87 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.686 1.13 . . . . 0.0 112.445 152.708 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -120.34 -179.19 3.88 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 126.54 1.936 . . . . 0.0 109.73 165.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -163.9 172.37 14.08 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.773 1.229 . . . . 0.0 110.618 -171.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.588 -0.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -90.94 0.63 57.47 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 126.683 1.993 . . . . 0.0 114.779 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -31.69 -48.38 0.14 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.889 2.876 . . . . 0.0 116.395 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.9 -20.79 64.14 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.628 1.171 . . . . 0.0 113.763 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -102.27 -11.1 18.97 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.494 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -71.44 26.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.097 1.359 . . . . 0.0 112.135 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -81.52 167.2 19.58 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 126.964 2.106 . . . . 0.0 111.925 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.68 -20.51 64.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.657 1.183 . . . . 0.0 112.936 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -56.35 -27.8 57.11 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 127.936 2.494 . . . . 0.0 116.074 -165.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.26 -112.55 2.25 Favored Glycine 0 C--O 1.222 -0.632 0 N-CA-C 106.512 -2.635 . . . . 0.0 106.512 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.23 155.76 8.15 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.057 2.143 . . . . 0.0 110.794 -5.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -140.51 77.34 1.6 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 160.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.26 -28.13 25.29 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 126.25 1.82 . . . . 0.0 112.422 -162.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -68.83 -10.4 56.66 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.613 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.34 -30.22 23.86 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.191 1.814 . . . . 0.0 112.653 165.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.88 -30.51 45.0 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.465 0.575 . . . . 0.0 111.713 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -139.84 146.96 40.03 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.156 0.982 . . . . 0.0 110.611 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.428 -0.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -62.89 151.73 38.4 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.734 1.614 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.16 75.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.328 1.451 . . . . 0.0 112.58 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.77 -15.41 29.36 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 126.779 2.032 . . . . 0.0 114.997 174.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -103.56 -23.67 13.47 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.284 169.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 -73.61 48.31 0.26 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 110.566 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.4 161.1 14.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 129.194 2.998 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.85 -23.56 62.35 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.5 m -58.99 -12.25 4.38 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.042 1.737 . . . . 0.0 115.658 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.05 -123.97 2.64 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 105.914 -2.874 . . . . 0.0 105.914 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.71 163.33 29.77 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.842 2.057 . . . . 0.0 110.64 -3.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -142.07 64.17 1.39 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 126.135 1.774 . . . . 0.0 106.739 163.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -46.64 -34.19 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 C-N-CA 129.133 2.973 . . . . 0.0 114.003 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -66.48 -12.88 59.63 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.087 0.858 . . . . 0.0 113.297 -169.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -151.87 -6.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -94.2 159.39 15.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.719 1.145 . . . . 0.0 110.636 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -133.7 -176.64 4.23 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.827 1.251 . . . . 0.0 112.557 -164.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 O-C-N 120.271 -1.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -159.23 149.7 19.42 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.477 1.111 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.85 78.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.022 0.929 . . . . 0.0 111.472 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.04 -10.09 57.51 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -104.89 -22.83 13.09 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.811 0.845 . . . . 0.0 111.588 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -75.71 44.23 0.28 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 110.446 168.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -86.37 174.87 8.74 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 128.704 2.802 . . . . 0.0 110.371 169.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -67.84 -12.35 60.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 m -60.99 -9.05 3.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.279 2.232 . . . . 0.0 116.046 -166.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.04 -120.02 1.11 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.7 -2.16 . . . . 0.0 107.7 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.78 153.68 7.44 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 121.247 2.524 . . . . 0.0 111.581 5.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -128.0 88.54 2.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 146.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.15 -13.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.966 1.706 . . . . 0.0 112.658 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.82 -18.32 54.9 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.455 171.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -90.52 -26.49 19.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 120.469 1.486 . . . . 0.0 112.884 167.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -71.09 -47.67 56.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.213 0.915 . . . . 0.0 110.507 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -161.65 141.51 10.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.47 1.508 . . . . 0.0 109.36 -171.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 121.347 -0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -99.88 154.07 18.64 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.271 1.028 . . . . 0.0 111.896 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -40.8 -58.46 1.66 Allowed 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.527 1.931 . . . . 0.0 114.777 -163.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.44 -37.55 57.14 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.995 1.318 . . . . 0.0 114.199 -170.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -109.35 -11.4 14.86 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.891 1.277 . . . . 0.0 112.99 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -79.05 65.96 4.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 107.411 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.22 149.75 22.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.132 1.773 . . . . 0.0 111.002 -168.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.3 -12.31 56.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.257 1.423 . . . . 0.0 111.506 174.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -57.22 -12.17 2.16 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.828 1.251 . . . . 0.0 114.014 -173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.37 -102.1 2.72 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 106.549 -2.62 . . . . 0.0 106.549 168.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.94 162.54 6.01 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 121.744 2.772 . . . . 0.0 111.098 0.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.72 77.95 1.39 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 154.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.04 -18.56 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 127.451 2.3 . . . . 0.0 114.757 -162.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -65.52 -11.87 47.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.489 1.041 . . . . 0.0 113.735 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -88.46 -5.71 58.08 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 116.714 -1.613 . . . . 0.0 113.557 173.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -106.59 156.58 18.45 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 121.161 1.801 . . . . 0.0 112.6 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? 77.19 -50.64 0.55 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 129.212 3.005 . . . . 0.0 112.195 -176.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.201 0 O-C-N 120.833 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.223 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -64.03 161.64 15.59 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.185 1.794 . . . . 0.0 112.803 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.91 -50.17 19.25 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.796 2.039 . . . . 0.0 112.769 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -63.17 -11.9 24.03 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.57 -17.35 13.44 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 125.46 1.504 . . . . 0.0 111.856 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -76.51 46.58 0.44 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.863 0.865 . . . . 0.0 110.516 164.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -86.88 159.42 19.06 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 127.197 2.199 . . . . 0.0 108.946 170.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.56 -18.6 62.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.076 0.95 . . . . 0.0 112.758 165.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m -79.93 22.95 0.47 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -165.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.77 -124.7 2.08 Favored Glycine 0 C--N 1.341 0.831 0 N-CA-C 108.205 -1.958 . . . . 0.0 108.205 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.17 151.44 4.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.23 2.612 . . . . 0.0 111.097 -1.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -130.76 100.81 5.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 138.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.83 -17.35 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.502 1.921 . . . . 0.0 111.829 -177.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -61.96 -26.65 68.33 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.66 -0.686 . . . . 0.0 111.042 172.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -95.32 -13.3 24.9 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.034 -0.984 . . . . 0.0 113.604 171.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -60.43 -37.62 81.49 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.851 1.205 . . . . 0.0 109.882 158.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -84.69 -7.47 59.21 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.623 1.969 . . . . 0.0 112.427 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 119.721 1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.193 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -98.4 125.03 43.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.843 1.257 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.81 -97.16 0.16 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.085 0.954 . . . . 0.0 109.501 -177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -47.33 -46.11 25.14 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -153.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -93.75 -24.3 17.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.49 -0.766 . . . . 0.0 111.984 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.09 60.15 5.34 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 122.521 1.153 . . . . 0.0 108.897 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -84.95 159.84 20.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 128.043 2.537 . . . . 0.0 110.081 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.93 -39.07 72.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.131 1.372 . . . . 0.0 113.057 -174.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -84.94 139.42 31.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.976 0.91 . . . . 0.0 109.931 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.73 -127.65 2.42 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 105.356 -3.098 . . . . 0.0 105.356 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 153.29 5.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 129.252 3.021 . . . . 0.0 110.017 -5.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.94 69.12 1.36 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 125.143 1.377 . . . . 0.0 107.738 156.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.3 t -40.19 -40.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.233 0 C-N-CA 129.836 3.255 . . . . 0.0 113.707 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -79.79 4.04 17.64 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -166.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -152.81 -1.24 0.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 150.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.13 140.46 33.79 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 120.341 1.428 . . . . 0.0 109.799 162.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.56 -35.07 78.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.114 1.766 . . . . 0.0 112.123 -176.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 O-C-N 121.01 -1.056 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -160.47 136.51 8.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.823 0.449 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.77 -21.47 62.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.438 0.695 . . . . 0.0 112.778 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -138.1 -39.51 0.54 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.942 -143.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -99.92 -24.42 14.65 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 113.594 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -78.73 63.65 3.54 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 109.097 173.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -98.32 141.86 30.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.732 2.013 . . . . 0.0 110.193 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.78 -35.12 72.43 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 119.116 -0.469 . . . . 0.0 111.615 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -72.19 7.32 1.75 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.95 -124.89 5.46 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 105.279 -3.128 . . . . 0.0 105.279 158.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.67 157.34 2.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 128.784 2.834 . . . . 0.0 108.837 -1.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -131.55 88.58 2.59 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 146.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.73 -18.6 19.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 125.378 1.471 . . . . 0.0 111.721 -175.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -69.01 -16.0 63.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 117.742 -1.123 . . . . 0.0 113.185 -173.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -90.11 -21.89 22.05 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.328 0.967 . . . . 0.0 112.368 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -86.87 -30.67 21.25 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.137 0.975 . . . . 0.0 111.713 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -162.51 154.09 18.16 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.167 1.387 . . . . 0.0 110.533 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 121.976 -0.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -162.45 151.65 15.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.339 1.055 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.9 2.13 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 127.78 2.432 . . . . 0.0 114.438 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -63.72 -20.63 65.89 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -114.15 6.3 16.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.53 1.059 . . . . 0.0 112.355 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -79.0 48.83 0.88 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.124 1.37 . . . . 0.0 109.597 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -109.83 169.14 8.91 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 125.736 1.615 . . . . 0.0 113.09 -158.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -62.39 -20.64 64.65 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.993 1.317 . . . . 0.0 112.576 165.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -67.67 7.64 0.47 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.11 2.164 . . . . 0.0 115.65 -164.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.0 -106.95 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 107.484 -2.246 . . . . 0.0 107.484 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.49 149.35 9.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 120.954 2.377 . . . . 0.0 111.375 -7.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -124.12 121.83 36.22 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 132.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -86.7 -22.8 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.968 1.307 . . . . 0.0 110.414 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -62.38 -29.1 70.23 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -156.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -140.44 31.1 1.91 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.408 1.483 . . . . 0.0 110.362 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.36 160.38 21.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.042 0.937 . . . . 0.0 112.998 -170.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -137.51 172.78 12.45 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 123.466 0.706 . . . . 0.0 109.863 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.134 0 O-C-N 121.5 -0.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.229 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.13 174.25 9.67 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.322 1.849 . . . . 0.0 113.011 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.15 -73.84 0.63 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.701 1.6 . . . . 0.0 111.712 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -55.33 -36.17 65.95 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -158.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -109.14 -10.86 14.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.626 1.17 . . . . 0.0 112.4 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HD2' HG11 ' A' ' 12' ' ' VAL . 46.0 mmm-85 -74.17 62.1 0.9 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.769 1.628 . . . . 0.0 108.343 167.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -103.89 149.75 24.8 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.481 1.512 . . . . 0.0 110.305 -168.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.47 -22.74 18.69 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.968 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -71.49 3.6 3.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.5 -107.18 2.19 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 104.956 -3.258 . . . . 0.0 104.956 160.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.85 144.98 1.38 Allowed 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 128.056 2.542 . . . . 0.0 108.837 -6.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -123.96 93.11 3.83 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 145.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 5' ' ' ARG . 24.0 t -64.57 -29.83 48.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 C-N-CA 123.908 0.883 . . . . 0.0 110.6 -174.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -67.2 -32.23 73.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -72.69 -33.03 66.22 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.156 0.889 . . . . 0.0 111.934 170.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -84.13 -38.01 21.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -127.1 6.58 6.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.64 1.576 . . . . 0.0 111.343 -170.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.034 0 O-C-N 120.891 -1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -105.32 -27.89 11.23 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.054 1.342 . . . . 0.0 112.865 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.59 54.24 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -170.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.16 -25.43 61.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.933 2.093 . . . . 0.0 113.788 174.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -122.54 -21.84 5.6 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.508 1.123 . . . . 0.0 112.693 172.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.23 49.69 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.98 1.712 . . . . 0.0 107.812 160.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -53.09 172.97 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 130.786 3.634 . . . . 0.0 111.687 172.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.32 -37.35 10.08 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.3 0.5 . . . . 0.0 110.807 170.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m -117.98 147.02 43.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.18 1.792 . . . . 0.0 109.783 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.42 -121.6 0.62 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.419 ' CZ ' HG22 ' B' ' 12' ' ' VAL . 0.1 OUTLIER -176.78 158.75 1.7 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 120.764 2.282 . . . . 0.0 110.515 9.516 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -138.6 122.35 17.58 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 118.133 -1.427 . . . . 0.0 107.172 117.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.419 HG22 ' CZ ' ' B' ' 10' ' ' TYR . 84.2 t -57.01 -36.82 52.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 124.876 1.27 . . . . 0.0 110.781 -173.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -69.91 -18.82 63.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.263 -0.875 . . . . 0.0 112.988 -169.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -103.56 -2.92 25.97 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.454 -1.26 . . . . 0.0 113.713 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -94.72 155.75 16.7 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.754 1.161 . . . . 0.0 112.006 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -149.37 172.74 14.42 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.985 1.314 . . . . 0.0 111.329 -173.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 O-C-N 121.569 -0.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -161.32 148.78 15.05 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.341 1.456 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.26 62.56 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.34 1.456 . . . . 0.0 113.921 -174.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.34 -33.48 74.79 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.224 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -97.53 -17.51 19.54 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 116.973 -1.489 . . . . 0.0 114.026 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -75.2 47.19 0.35 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.835 1.654 . . . . 0.0 110.157 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -78.57 150.79 32.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 126.782 2.033 . . . . 0.0 110.021 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.25 -26.51 68.42 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.519 1.128 . . . . 0.0 112.691 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 m -75.11 -1.91 25.17 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -165.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.33 -124.36 2.99 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 107.545 -2.222 . . . . 0.0 107.545 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.68 151.26 9.1 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.977 2.511 . . . . 0.0 110.36 -1.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -130.25 82.84 2.08 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 157.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.29 -6.99 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.848 2.059 . . . . 0.0 113.35 -170.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -60.93 -19.76 61.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.462 1.028 . . . . 0.0 111.622 167.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -84.11 0.83 46.88 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -127.21 -43.08 1.66 Allowed 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 112.518 -173.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -149.89 158.23 43.96 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.607 1.563 . . . . 0.0 109.848 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 O-C-N 121.788 -0.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -146.59 138.47 24.71 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.06 -41.82 2.7 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 127.982 2.513 . . . . 0.0 114.177 -170.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.77 -35.38 61.24 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 117.404 -1.284 . . . . 0.0 113.863 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.4 ' C ' ' H ' ' B' ' 6' ' ' ARG . 37.0 p90 -112.96 -19.88 11.76 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.652 1.115 . . . . 0.0 112.198 172.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.89 50.25 0.99 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.9 1.68 . . . . 0.0 108.824 164.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' B' ' 4' ' ' PHE . 5.9 mmp_? -61.49 155.4 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 129.869 3.268 . . . . 0.0 110.374 172.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.12 -19.78 12.92 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.878 1.271 . . . . 0.0 113.265 -169.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -80.21 82.17 6.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.124 0.875 . . . . 0.0 110.19 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.12 -109.54 0.28 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.43 161.9 19.07 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 128.795 2.838 . . . . 0.0 110.044 -9.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.2 86.09 1.35 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 155.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.91 -26.7 36.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 126.427 1.891 . . . . 0.0 113.809 -162.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -60.82 -20.94 62.6 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.945 1.248 . . . . 0.0 113.129 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.37 1.46 51.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.885 1.274 . . . . 0.0 112.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -149.77 175.54 11.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.174 1.389 . . . . 0.0 110.66 -158.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -81.34 26.52 0.45 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.609 0.764 . . . . 0.0 112.203 173.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.072 0 O-C-N 120.833 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -103.05 151.68 22.24 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.928 1.291 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -36.53 -59.69 0.64 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 127.253 2.221 . . . . 0.0 114.932 -159.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.52 -37.12 16.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.922 1.689 . . . . 0.0 115.017 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -112.8 -12.6 13.31 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.444 1.098 . . . . 0.0 112.93 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.08 60.89 3.75 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.107 1.763 . . . . 0.0 109.358 168.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -85.79 151.39 23.86 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.589 1.956 . . . . 0.0 110.561 -171.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.56 -9.04 55.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.574 1.949 . . . . 0.0 112.685 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -65.59 -11.5 44.78 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.17 -108.04 1.59 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.39 162.53 10.34 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 127.605 2.362 . . . . 0.0 109.438 6.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -139.1 83.84 1.97 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 151.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.55 -20.59 19.01 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 126.017 1.727 . . . . 0.0 112.364 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -62.08 -24.42 67.1 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 120.433 1.47 . . . . 0.0 112.476 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.5 -27.1 21.68 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.648 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -61.63 -48.7 79.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.674 1.124 . . . . 0.0 108.839 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -154.84 135.32 13.38 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.888 1.275 . . . . 0.0 109.445 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.678 -0.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.294 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.401 ' H ' ' HG2' ' B' ' 5' ' ' ARG . 9.1 t70 -155.33 142.6 19.4 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.819 0.847 . . . . 0.0 109.739 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.28 -22.3 4.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.216 1.806 . . . . 0.0 115.395 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.88 -41.91 98.43 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.124 0.874 . . . . 0.0 111.318 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.23 -8.28 7.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.475 1.11 . . . . 0.0 113.5 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.43 ' HD2' HG11 ' B' ' 12' ' ' VAL . 44.5 mmm-85 -80.27 77.8 6.99 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.271 1.428 . . . . 0.0 108.175 167.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -122.92 166.02 15.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.731 2.012 . . . . 0.0 111.634 -160.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.42 -18.08 64.36 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.908 1.283 . . . . 0.0 112.034 164.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.9 m -63.12 -3.45 1.77 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 127.404 2.281 . . . . 0.0 116.575 -161.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.18 -99.31 0.86 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 106.497 -2.641 . . . . 0.0 106.497 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.79 159.53 18.65 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 120.164 1.982 . . . . 0.0 111.857 -3.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -151.02 75.46 1.2 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 147.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.43 HG11 ' HD2' ' B' ' 5' ' ' ARG . 73.7 t -39.68 -44.27 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 128.272 2.629 . . . . 0.0 114.226 -160.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -59.66 -22.56 62.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.762 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -153.08 -0.25 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -125.57 156.82 38.51 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 120.424 1.465 . . . . 0.0 111.728 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -81.59 157.96 24.55 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 127.679 2.392 . . . . 0.0 112.078 -168.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 121.097 -1.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.253 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -174.77 156.77 2.36 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 124.972 1.309 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.28 83.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.316 0.962 . . . . 0.0 112.336 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.29 -9.29 46.59 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.434 1.494 . . . . 0.0 114.714 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' ARG . 19.6 m-85 -111.59 -21.58 11.66 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 124.152 0.981 . . . . 0.0 112.575 170.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 46.06 0.36 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.996 1.718 . . . . 0.0 109.267 166.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' PHE . 5.4 mmp_? -70.68 179.95 2.4 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.055 2.542 . . . . 0.0 110.048 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.19 -46.68 82.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.7 m -147.79 152.01 36.98 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 124.531 1.132 . . . . 0.0 111.983 -165.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.02 -120.52 0.92 Allowed Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 106.705 -2.558 . . . . 0.0 106.705 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.31 156.69 7.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.98 2.912 . . . . 0.0 109.152 -8.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -134.52 91.95 2.85 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 143.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.96 -18.76 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.855 2.062 . . . . 0.0 113.599 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -57.56 -38.71 75.25 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.009 0.924 . . . . 0.0 110.947 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.583 ' CE1' HE21 ' B' ' 15' ' ' GLN . 63.5 m-70 -83.99 -16.6 43.42 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.552 174.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.95 -41.23 68.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 120.138 1.335 . . . . 0.0 111.617 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -81.84 -24.63 35.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.633 0.373 . . . . 0.0 110.851 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.032 0 O-C-N 121.048 -1.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -72.8 -13.35 61.28 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -38.59 -38.72 0.42 Allowed 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 128.556 2.742 . . . . 0.0 115.894 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.14 -34.06 59.45 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 124.886 1.274 . . . . 0.0 113.945 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -113.99 -22.59 10.0 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.317 0.962 . . . . 0.0 111.252 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -77.85 62.23 2.65 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 122.665 1.221 . . . . 0.0 108.593 161.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -74.12 132.32 42.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.862 2.465 . . . . 0.0 109.778 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -66.53 -21.54 66.16 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.998 169.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.4 m -62.3 -11.81 17.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.43 -115.55 3.88 Favored Glycine 0 C--N 1.341 0.808 0 N-CA-C 106.211 -2.756 . . . . 0.0 106.211 166.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.82 161.68 11.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 127.664 2.385 . . . . 0.0 110.806 -4.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -146.42 75.61 1.41 Allowed 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 158.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -49.24 -30.21 4.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 127.731 2.412 . . . . 0.0 113.096 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.93 -20.47 65.24 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -162.05 -11.29 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 173.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.583 HE21 ' CE1' ' A' ' 14' ' ' HIS . 18.6 mm-40 -109.78 149.53 29.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 120.438 1.472 . . . . 0.0 110.947 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -74.12 -12.12 60.51 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.469 1.108 . . . . 0.0 112.866 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 119.806 1.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.371 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -129.08 154.01 47.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.311 1.044 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.0 -52.92 8.33 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 126.646 1.979 . . . . 0.0 114.503 -161.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.73 -13.68 16.48 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 p90 -130.04 -3.33 4.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.68 1.192 . . . . 0.0 112.258 171.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -79.67 51.0 1.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.765 0.826 . . . . 0.0 108.831 155.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.55 161.2 14.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.784 2.034 . . . . 0.0 109.87 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -75.06 -21.37 59.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -69.21 0.1 5.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -167.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.29 -132.18 4.73 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 108.071 -2.012 . . . . 0.0 108.071 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.64 160.9 17.93 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.231 2.016 . . . . 0.0 111.816 5.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -138.42 100.72 4.18 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 136.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.82 -26.18 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 125.686 1.594 . . . . 0.0 110.997 -174.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -59.43 -40.25 86.12 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.648 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -81.21 -37.84 27.98 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 120.023 1.283 . . . . 0.0 112.179 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.21 -35.26 73.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HE3' ' CG ' ' A' ' 4' ' ' PHE . 71.6 mmtt -99.03 5.72 46.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.898 0.479 . . . . 0.0 111.366 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 CA-C-N 118.926 0.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -65.66 147.65 53.05 Favored 'General case' 0 CA--C 1.52 -0.188 0 O-C-N 123.956 0.785 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.51 84.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.919 0.887 . . . . 0.0 111.523 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -57.26 -18.3 15.72 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.368 1.867 . . . . 0.0 114.506 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -113.71 -13.76 12.65 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 124.328 1.051 . . . . 0.0 113.692 174.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.428 ' HD2' HG21 ' B' ' 12' ' ' VAL . 8.9 mmm180 -79.19 55.84 1.92 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.515 1.126 . . . . 0.0 108.887 167.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -91.59 -11.17 37.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.45 1.5 . . . . 0.0 113.697 -171.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -173.17 164.78 4.85 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.51 0.724 . . . . 0.0 110.743 -161.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.1 m -57.72 130.04 44.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.657 0.383 . . . . 0.0 109.975 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.06 -126.53 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.83 162.21 39.71 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 128.185 2.594 . . . . 0.0 109.073 -7.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -143.82 71.45 1.32 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 159.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.428 HG21 ' HD2' ' B' ' 5' ' ' ARG . 2.5 t -52.22 -19.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.269 0 C-N-CA 127.277 2.231 . . . . 0.0 114.206 -166.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -59.78 -19.49 50.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.681 1.128 . . . . 0.0 113.097 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.9 -29.49 17.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 120.77 1.623 . . . . 0.0 112.923 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -68.88 -43.22 75.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.479 1.112 . . . . 0.0 110.703 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -52.2 138.53 25.84 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.428 2.291 . . . . 0.0 113.621 -168.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.125 0 O-C-N 121.264 -0.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -36.89 64.08 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.514 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.43 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 123.795 0.838 . . . . 0.0 113.161 -158.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.52 -21.82 53.44 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 173.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -100.33 -16.71 17.57 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 125.266 1.427 . . . . 0.0 112.952 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -70.94 21.92 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.618 1.167 . . . . 0.0 112.556 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -72.6 159.75 33.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.519 1.927 . . . . 0.0 109.946 173.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -70.09 -24.83 63.28 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.248 1.419 . . . . 0.0 113.136 171.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.8 m -78.46 62.1 3.0 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.317 1.447 . . . . 0.0 112.924 -169.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.38 -123.16 0.69 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 168.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.21 149.56 5.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 120.759 2.28 . . . . 0.0 111.387 1.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -131.78 88.66 2.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.618 -1.174 . . . . 0.0 107.883 149.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.59 -20.47 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 127.106 2.163 . . . . 0.0 113.523 -170.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.99 -39.23 88.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.951 0.796 . . . . 0.0 110.737 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -74.09 -26.18 60.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 118.276 -0.868 . . . . 0.0 112.11 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -68.89 -43.22 75.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 118.925 0.784 . . . . 0.0 111.134 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -65.47 147.25 53.74 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.549 1.54 . . . . 0.0 112.474 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.14 0 O-C-N 121.341 -0.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -62.96 -6.07 3.51 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.264 1.425 . . . . 0.0 114.84 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -39.88 -42.5 1.33 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.654 1.981 . . . . 0.0 111.545 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.1 -23.39 54.66 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 125.363 1.465 . . . . 0.0 113.851 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -102.25 -13.11 17.52 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.695 1.134 . . . . 0.0 112.651 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -76.3 27.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.734 0.814 . . . . 0.0 111.957 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.83 155.99 38.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.308 1.843 . . . . 0.0 110.646 174.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.23 -13.78 60.87 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.394 0.678 . . . . 0.0 112.665 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -64.55 -14.12 55.99 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -163.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.23 -127.16 2.99 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 107.401 -2.28 . . . . 0.0 107.401 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.9 155.36 3.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.988 2.394 . . . . 0.0 111.279 13.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -133.53 93.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 106.025 -1.842 . . . . 0.0 106.025 150.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.13 -36.3 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.992 1.317 . . . . 0.0 111.727 -170.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -69.4 -20.09 63.81 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -164.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -145.86 53.13 1.15 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 164.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -55.25 163.12 1.22 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.659 1.583 . . . . 0.0 112.285 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -80.56 167.48 20.05 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.761 0.825 . . . . 0.0 111.811 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 122.151 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -176.9 169.38 2.42 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.097 1.759 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.09 -47.55 45.1 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 126.331 1.852 . . . . 0.0 113.209 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.86 -4.8 13.86 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -111.47 -15.75 13.46 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.674 1.19 . . . . 0.0 112.34 170.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -74.05 35.82 0.09 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.507 1.049 . . . . 0.0 111.203 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -82.07 165.55 20.51 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.653 1.981 . . . . 0.0 111.835 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -77.26 -29.2 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.444 0.698 . . . . 0.0 112.725 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 m -86.51 64.01 8.3 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.849 0.749 . . . . 0.0 111.864 -173.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.17 -130.67 1.2 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 172.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 144.21 6.27 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.644 2.377 . . . . 0.0 110.135 -1.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -127.52 78.82 1.85 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 156.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -49.09 -39.04 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 C-N-CA 128.352 2.661 . . . . 0.0 114.958 -159.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -66.0 -25.55 67.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.857 -170.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -73.02 -10.7 60.08 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 117.935 -1.031 . . . . 0.0 113.677 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -60.93 -30.02 69.96 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.885 1.22 . . . . 0.0 112.084 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -61.34 -25.79 67.38 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 124.746 1.218 . . . . 0.0 112.988 171.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 119.719 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.402 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.96 169.3 9.06 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.761 0.824 . . . . 0.0 112.579 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.79 -44.93 66.94 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.763 1.225 . . . . 0.0 113.913 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -55.87 -35.33 66.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -167.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -106.95 -4.58 18.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 118.137 -0.935 . . . . 0.0 113.304 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 tpp85 -71.06 79.55 0.67 Allowed 'General case' 0 C--N 1.347 0.457 0 C-N-CA 125.044 1.338 . . . . 0.0 108.475 161.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -122.57 157.95 30.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.033 1.733 . . . . 0.0 110.956 -168.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.63 -31.49 28.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.585 0.754 . . . . 0.0 112.854 -176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m -80.44 76.36 7.27 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.732 0.813 . . . . 0.0 112.133 -166.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.03 -103.62 0.17 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 107.032 -2.427 . . . . 0.0 107.032 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.8 156.54 6.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.022 2.529 . . . . 0.0 110.547 -10.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -138.49 96.39 3.16 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.639 135.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 t -60.54 -32.07 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.633 0.773 . . . . 0.0 111.862 -169.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -62.77 -14.77 48.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -165.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.49 -10.38 27.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -96.8 165.59 12.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 121.485 1.948 . . . . 0.0 112.767 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -79.91 157.43 26.91 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 126.319 1.848 . . . . 0.0 110.808 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 121.619 -0.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.27 77.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -155.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -27.0 67.34 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -116.72 -11.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.523 1.129 . . . . 0.0 113.646 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -73.96 70.48 1.5 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 122.619 1.199 . . . . 0.0 108.557 159.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -105.61 147.99 27.82 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 127.486 2.314 . . . . 0.0 107.756 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.8 -20.11 53.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.363 1.865 . . . . 0.0 111.598 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 m -84.02 12.92 5.56 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.072 1.349 . . . . 0.0 113.825 -165.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -122.57 3.41 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 104.651 -3.38 . . . . 0.0 104.651 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.92 156.81 9.41 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.895 2.478 . . . . 0.0 109.427 -4.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.1 102.68 7.07 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 135.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.87 -17.92 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 125.437 1.495 . . . . 0.0 113.079 -172.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -61.15 -19.02 61.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.13 4.23 36.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.752 1.221 . . . . 0.0 113.549 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -122.38 169.53 10.86 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.392 1.477 . . . . 0.0 112.005 167.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.252 -164.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.8 -33.68 50.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 126.245 1.818 . . . . 0.0 114.858 -167.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -67.95 -33.83 75.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.333 1.053 . . . . 0.0 111.597 -171.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -119.04 -2.45 10.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.414 1.485 . . . . 0.0 114.682 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.477 ' HD2' HG11 ' B' ' 12' ' ' VAL . 33.4 mmm-85 -74.01 77.11 1.7 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.992 1.317 . . . . 0.0 108.245 153.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -123.3 152.02 41.83 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.108 2.563 . . . . 0.0 109.345 -173.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.96 -7.91 56.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.668 0.787 . . . . 0.0 112.922 166.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -76.33 15.14 0.63 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.786 1.635 . . . . 0.0 114.125 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.47 -108.5 1.07 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 105.2 -3.16 . . . . 0.0 105.2 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.72 152.99 1.69 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.213 2.605 . . . . 0.0 109.646 -4.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -140.86 82.75 1.86 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 154.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' B' ' 5' ' ' ARG . 94.1 t -55.79 -25.47 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 C-N-CA 127.663 2.385 . . . . 0.0 112.678 -161.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -63.34 -20.09 65.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.682 0.614 . . . . 0.0 112.572 -167.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -150.57 10.5 0.65 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 169.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.62 161.79 13.36 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.802 1.241 . . . . 0.0 110.507 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.813 178.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.85 62.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.056 1.342 . . . . 0.0 111.812 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.67 -13.2 61.67 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CD1' ' HG2' ' A' ' 15' ' ' GLN . 18.3 m-85 -105.76 -21.27 13.21 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.598 1.09 . . . . 0.0 112.507 173.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -75.67 63.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.2 1.0 . . . . 0.0 109.079 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -98.88 154.38 18.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.859 2.464 . . . . 0.0 109.973 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.55 -41.93 96.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 112.329 171.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.8 m -83.69 67.67 9.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.385 1.474 . . . . 0.0 112.015 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.96 -137.37 2.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.26 156.49 5.79 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.759 3.223 . . . . 0.0 107.31 -1.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -136.81 100.2 4.25 Favored 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 147.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.5 -15.13 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.351 1.46 . . . . 0.0 112.956 -166.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -58.03 -24.96 60.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -100.33 6.92 44.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.942 0.897 . . . . 0.0 112.648 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.403 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 66.2 tp60 -78.47 -77.75 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.359 0.981 . . . . 0.0 110.214 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -170.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 . . . . . 0 N--CA 1.461 0.091 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.74 -37.75 6.27 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.02 1.728 . . . . 0.0 113.773 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -54.7 -34.92 63.04 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 126.014 1.725 . . . . 0.0 113.723 -177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -109.72 -16.13 13.98 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.917 172.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mmm-85 -81.76 52.37 1.9 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 122.302 1.048 . . . . 0.0 109.843 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.48 152.54 43.9 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.365 2.666 . . . . 0.0 109.888 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -63.8 -40.11 95.86 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.402 1.081 . . . . 0.0 113.256 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.9 m -84.95 121.16 27.36 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.84 0.856 . . . . 0.0 109.16 -167.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.85 -134.86 4.07 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 107.655 -2.178 . . . . 0.0 107.655 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.05 147.43 5.58 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.614 2.365 . . . . 0.0 110.265 -3.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -134.24 74.31 1.53 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.614 1.166 . . . . 0.0 108.062 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.18 -27.66 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 128.083 2.553 . . . . 0.0 114.747 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.04 -11.26 56.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -82.59 -20.56 36.24 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.95 146.45 35.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 119.509 1.05 . . . . 0.0 113.275 -158.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 127.122 2.169 . . . . 0.0 111.491 -169.645 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 t70 . . . . . 0 CA--C 1.54 0.588 0 CA-C-O 120.251 0.072 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.95 -38.61 76.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.48 1.112 . . . . 0.0 113.446 -169.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.16 -11.32 8.56 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.211 1.804 . . . . 0.0 114.776 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -107.7 -26.87 10.63 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 125.194 1.398 . . . . 0.0 112.085 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -67.73 17.87 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 113.085 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -53.11 141.7 22.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 126.517 1.927 . . . . 0.0 111.193 170.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.47 -20.75 65.52 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.457 1.103 . . . . 0.0 111.176 167.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -63.29 -0.82 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.291 1.836 . . . . 0.0 114.888 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 -120.99 2.58 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 107.317 -2.313 . . . . 0.0 107.317 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.54 145.46 1.59 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 120.894 2.347 . . . . 0.0 111.229 2.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -129.07 82.45 2.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 152.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.57 -26.78 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 128.618 2.767 . . . . 0.0 113.694 -166.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -54.25 -28.71 43.24 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -91.58 1.56 57.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.379 1.445 . . . . 0.0 114.506 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -135.46 -67.65 0.53 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.591 1.156 . . . . 0.0 109.074 -174.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.291 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.528 0 C-N-CA 127.766 2.426 . . . . 0.0 114.574 174.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.95 -42.59 59.88 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 125.973 1.709 . . . . 0.0 113.121 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.37 -17.01 51.97 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -106.27 -12.45 15.7 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.461 1.504 . . . . 0.0 112.603 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -76.05 51.22 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.044 1.338 . . . . 0.0 110.33 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.79 172.53 8.57 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.829 2.452 . . . . 0.0 110.742 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -71.72 -33.0 68.36 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -168.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -115.06 129.62 56.74 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.497 1.044 . . . . 0.0 113.24 -171.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.402 ' HA3' ' CG ' ' B' ' 10' ' ' TYR . . . 156.19 -129.34 2.43 Favored Glycine 0 CA--C 1.533 1.16 0 N-CA-C 105.951 -2.859 . . . . 0.0 105.951 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.402 ' CG ' ' HA3' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -175.81 145.4 0.68 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 122.276 3.038 . . . . 0.0 110.184 -1.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -128.07 107.3 9.7 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 140.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.67 -18.45 23.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 125.934 1.693 . . . . 0.0 113.012 -168.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -62.47 -23.64 67.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.097 -0.477 . . . . 0.0 111.556 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -91.97 -13.84 30.45 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.221 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -55.83 -34.62 65.56 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 119.591 1.087 . . . . 0.0 111.836 173.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 CA--C 1.54 0.596 0 C-N-CA 125.969 1.708 . . . . 0.0 109.589 178.535 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 121.554 0.693 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.66 93.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.898 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.34 -23.58 49.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.15 0.98 . . . . 0.0 112.893 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -96.96 -17.75 19.89 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 18.62 0.13 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.925 1.238 . . . . 0.0 113.636 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.09 162.91 25.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.178 2.191 . . . . 0.0 113.958 -165.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.92 -14.83 17.47 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.299 1.44 . . . . 0.0 112.661 165.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -61.9 -2.64 0.92 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.491 2.316 . . . . 0.0 114.436 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.83 -118.17 0.95 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 106.674 -2.571 . . . . 0.0 106.674 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.82 146.04 5.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.903 2.352 . . . . 0.0 112.141 3.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.19 89.93 2.57 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 150.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -53.92 -26.07 13.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 126.205 1.802 . . . . 0.0 112.076 -166.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -66.72 -13.82 61.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.22 -3.4 56.98 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.597 1.09 . . . . 0.0 113.176 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -122.66 -32.09 3.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.62 1.168 . . . . 0.0 110.93 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt . . . . . 0 CA--C 1.532 0.268 0 C-N-CA 125.885 1.674 . . . . 0.0 109.377 170.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 CA--C 1.534 0.341 0 CA-C-O 119.711 -0.185 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.43 86.95 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.605 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.44 -9.19 23.46 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -102.55 -25.77 13.47 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 116.871 -1.538 . . . . 0.0 113.6 171.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -71.22 45.94 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.724 1.61 . . . . 0.0 111.089 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.31 162.52 14.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.763 2.825 . . . . 0.0 110.683 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.22 -27.64 63.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.151 0.98 . . . . 0.0 112.72 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.9 m -72.88 94.82 1.87 Allowed 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 123.658 0.783 . . . . 0.0 110.852 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.5 -121.77 1.44 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 104.524 -3.43 . . . . 0.0 104.524 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.89 4.94 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.832 2.453 . . . . 0.0 109.978 -9.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.37 92.78 3.23 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 147.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.9 t -55.9 -19.71 7.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 126.215 1.806 . . . . 0.0 112.9 -170.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -56.21 -20.63 18.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 124.921 1.288 . . . . 0.0 113.904 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -109.57 6.1 23.67 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 120.06 1.3 . . . . 0.0 113.138 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -59.11 -38.31 79.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 120.21 1.368 . . . . 0.0 113.455 -169.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttm . . . . . 0 CA--C 1.535 0.395 0 C-N-CA 127.122 2.169 . . . . 0.0 112.895 176.096 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.321 0.105 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.21 -40.16 73.6 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.42 1.488 . . . . 0.0 112.139 -175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.21 -21.14 21.38 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.875 -1.536 . . . . 0.0 113.71 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -102.07 -13.03 17.68 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.261 1.424 . . . . 0.0 113.494 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -74.22 43.39 0.17 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.714 1.206 . . . . 0.0 110.892 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.9 152.6 20.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.746 2.018 . . . . 0.0 112.053 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.75 -13.37 32.0 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -54.38 -13.99 1.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 127.247 2.219 . . . . 0.0 115.299 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -129.78 1.83 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.03 153.04 4.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.624 2.212 . . . . 0.0 111.483 11.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -134.3 71.21 1.45 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.458 1.503 . . . . 0.0 107.8 161.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.11 -24.96 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 129.637 3.175 . . . . 0.0 115.204 -165.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -73.54 -4.87 36.6 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.262 0.937 . . . . 0.0 112.352 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -89.46 -1.48 58.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.364 1.438 . . . . 0.0 113.524 163.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -131.47 163.18 28.53 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 125.374 1.47 . . . . 0.0 111.088 -167.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.222 -0.367 0 C-N-CA 124.493 1.117 . . . . 0.0 111.81 -174.839 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.54 -41.41 21.2 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 126.088 1.755 . . . . 0.0 114.974 -165.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.43 -27.27 69.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -117.18 -11.34 10.69 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.192 0.597 . . . . 0.0 111.758 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -78.15 81.13 4.54 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.268 1.427 . . . . 0.0 107.235 167.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -117.43 177.63 4.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.505 2.322 . . . . 0.0 110.094 -168.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -63.22 -38.28 90.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.915 0.486 . . . . 0.0 111.399 168.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -150.74 172.61 15.31 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.32 2.248 . . . . 0.0 110.764 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.87 -101.21 0.15 Allowed Glycine 0 CA--C 1.534 1.252 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.11 146.41 7.56 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.921 1.86 . . . . 0.0 112.015 -1.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.76 78.07 1.78 Allowed 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 150.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -38.57 -39.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 127.892 2.477 . . . . 0.0 112.934 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -56.94 -27.77 61.45 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 117.039 -1.458 . . . . 0.0 113.918 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -165.48 -2.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -156.31 162.28 40.11 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 121.818 2.099 . . . . 0.0 112.583 -163.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.223 -0.316 0 C-N-CA 126.352 1.861 . . . . 0.0 113.286 -177.28 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 126.934 2.094 . . . . 0.0 113.47 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.98 -19.51 52.68 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 125.904 1.682 . . . . 0.0 113.75 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -107.2 -17.33 14.18 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 125.357 1.463 . . . . 0.0 112.137 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -72.15 19.74 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.098 0.959 . . . . 0.0 112.339 170.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -58.41 151.15 20.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.686 1.594 . . . . 0.0 110.135 165.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.29 -26.12 68.63 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 166.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.7 m -74.98 90.9 2.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.184 0.994 . . . . 0.0 111.236 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.99 -129.48 2.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 106.117 -2.793 . . . . 0.0 106.117 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.5 155.32 17.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.67 2.788 . . . . 0.0 111.088 -6.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.29 95.19 2.96 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 141.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.33 -16.21 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 126.962 2.105 . . . . 0.0 113.353 -172.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.24 -26.72 68.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.024 0.929 . . . . 0.0 111.979 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -88.88 -11.89 43.34 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.273 1.397 . . . . 0.0 112.448 172.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -84.7 -30.08 25.08 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.175 0.99 . . . . 0.0 111.982 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 125.415 1.486 . . . . 0.0 108.941 -176.662 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.61 -46.82 40.11 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 124.482 1.113 . . . . 0.0 112.196 -164.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.01 -22.78 61.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 116.158 1.911 . . . . 0.0 116.158 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -116.53 -18.19 10.44 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.162 0.892 . . . . 0.0 111.709 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -77.59 68.63 3.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 162.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -96.98 147.32 24.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.762 2.025 . . . . 0.0 109.892 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -64.5 -16.43 62.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.848 0.859 . . . . 0.0 112.01 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -64.45 4.57 0.36 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.156 2.982 . . . . 0.0 114.676 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.46 -111.4 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 105.888 -2.885 . . . . 0.0 105.888 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.0 145.06 2.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 120.814 2.307 . . . . 0.0 108.971 -2.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.62 71.39 1.47 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 158.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 t -42.62 -38.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 128.634 2.774 . . . . 0.0 113.263 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -65.92 -20.13 66.11 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 117.371 -1.3 . . . . 0.0 113.877 -164.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -140.63 4.55 1.95 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.617 1.098 . . . . 0.0 112.469 164.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.09 -158.9 0.4 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.662 0.785 . . . . 0.0 109.38 161.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.3 mttp . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -173.204 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.6 t0 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.72 87.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.987 1.715 . . . . 0.0 113.405 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.79 -14.3 8.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.811 2.045 . . . . 0.0 114.548 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.88 -11.35 14.69 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 124.368 1.067 . . . . 0.0 112.727 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.75 31.75 0.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.6 1.091 . . . . 0.0 112.08 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -83.86 161.98 20.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 128.095 2.558 . . . . 0.0 111.487 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.67 -17.76 64.7 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.791 -0.568 . . . . 0.0 111.811 164.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 m -65.9 13.57 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.401 2.28 . . . . 0.0 115.541 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.37 -120.05 1.09 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 167.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.16 149.95 2.93 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 120.422 2.111 . . . . 0.0 110.691 4.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.71 90.14 2.67 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 152.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.75 -20.62 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 128.02 2.528 . . . . 0.0 113.994 -167.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.18 -17.38 64.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.419 -0.8 . . . . 0.0 111.119 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -99.3 -9.08 24.04 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.792 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -58.42 -41.75 85.72 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.532 1.06 . . . . 0.0 108.912 155.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt . . . . . 0 N--CA 1.449 -0.517 0 C-N-CA 126.72 2.008 . . . . 0.0 112.153 176.108 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.38 73.82 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 125.324 1.45 . . . . 0.0 113.318 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.56 -25.13 62.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.118 1.367 . . . . 0.0 113.593 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -96.55 -16.91 20.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 117.8 -1.095 . . . . 0.0 112.076 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -74.9 32.59 0.1 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.564 1.146 . . . . 0.0 112.278 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -83.67 157.69 22.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.416 1.886 . . . . 0.0 109.972 174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.97 -12.53 55.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.086 1.354 . . . . 0.0 112.806 167.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -78.13 59.93 2.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 112.875 -165.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.19 -115.73 0.52 Allowed Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 106.917 -2.473 . . . . 0.0 106.917 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.64 156.42 6.51 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 127.84 2.456 . . . . 0.0 109.341 -0.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -133.21 114.97 14.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 131.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.28 -16.67 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.623 1.169 . . . . 0.0 113.213 -163.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -64.05 -14.81 57.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -139.62 -71.84 0.39 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 119.334 0.97 . . . . 0.0 112.103 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -159.42 161.76 35.61 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 122.333 1.063 . . . . 0.0 112.581 -153.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.452 -0.369 0 C-N-CA 124.439 1.096 . . . . 0.0 112.814 -175.478 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.53 -44.76 69.45 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 125.753 1.621 . . . . 0.0 113.407 -171.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.65 -16.3 37.49 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -105.17 -11.73 16.43 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.374 0.988 . . . . 0.0 113.055 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -71.51 18.72 0.07 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.345 0.975 . . . . 0.0 112.477 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -68.49 170.49 8.98 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.567 1.947 . . . . 0.0 111.598 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.62 -14.01 17.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.516 1.526 . . . . 0.0 114.227 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 m -69.96 -8.32 47.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -166.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.67 -117.66 0.98 Allowed Glycine 0 C--N 1.343 0.958 0 CA-C-N 120.38 1.445 . . . . 0.0 109.744 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.54 147.21 8.78 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 128.256 2.623 . . . . 0.0 110.386 -5.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.43 101.55 6.74 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 141.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.61 -25.97 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 124.78 1.232 . . . . 0.0 112.038 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -65.16 -12.75 54.45 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -166.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -114.79 12.65 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.499 1.045 . . . . 0.0 112.943 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -135.11 -68.6 0.52 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 120.299 1.409 . . . . 0.0 112.403 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 CA--C 1.519 -0.213 0 CA-C-N 118.54 0.609 . . . . 0.0 111.455 -168.271 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 110.617 -0.142 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.25 29.61 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 126.653 1.981 . . . . 0.0 114.215 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.86 -34.24 12.21 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.804 2.042 . . . . 0.0 114.438 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -117.44 -8.56 11.0 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.573 1.149 . . . . 0.0 112.759 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.429 ' HE ' ' CG1' ' B' ' 12' ' ' VAL . 20.4 tpp85 -80.7 57.5 2.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.678 1.591 . . . . 0.0 108.424 166.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -88.15 158.79 18.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.464 2.305 . . . . 0.0 110.82 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.73 -11.34 59.07 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.463 0.705 . . . . 0.0 112.619 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.0 m -73.85 36.51 0.09 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.613 1.965 . . . . 0.0 114.307 -170.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.81 -110.27 0.23 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 105.74 -2.944 . . . . 0.0 105.74 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.54 158.15 9.26 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 121.007 2.403 . . . . 0.0 111.373 1.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -140.7 61.45 1.51 Allowed 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.245 1.418 . . . . 0.0 107.72 166.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.429 ' CG1' ' HE ' ' B' ' 5' ' ' ARG . 94.7 t -54.91 -20.6 6.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 112.612 -173.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.2 -13.75 41.19 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -141.24 1.71 1.63 Allowed 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 156.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -93.44 167.59 11.61 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.654 1.115 . . . . 0.0 110.545 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.168 0.987 . . . . 0.0 112.977 -171.825 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.23 71.1 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.841 1.256 . . . . 0.0 113.141 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.54 -17.6 62.97 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.302 1.441 . . . . 0.0 113.292 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' ARG . 23.0 m-85 -102.45 -18.16 15.47 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.941 1.296 . . . . 0.0 112.472 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -72.94 37.31 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.827 1.194 . . . . 0.0 112.06 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.0 mmp_? -82.61 167.43 18.31 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.319 2.247 . . . . 0.0 110.581 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -77.37 -34.19 55.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.163 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -81.14 10.67 4.99 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -159.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.29 -122.28 3.4 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 105.907 -2.877 . . . . 0.0 105.907 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.36 152.5 7.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 127.912 2.485 . . . . 0.0 110.614 0.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -139.23 75.46 1.52 Allowed 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 113.638 -1.619 . . . . 0.0 106.818 155.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.14 -34.19 10.42 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 127.37 2.268 . . . . 0.0 111.899 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -60.16 -9.68 3.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.868 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -152.71 5.23 0.37 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.848 1.203 . . . . 0.0 113.923 162.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.64 -35.38 20.98 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 120.15 1.341 . . . . 0.0 112.691 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.2 mttt . . . . . 0 N--CA 1.47 0.556 0 CA-C-N 119.446 1.021 . . . . 0.0 113.157 173.328 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -34.42 -53.22 0.51 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 128.898 2.879 . . . . 0.0 114.994 -167.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -49.39 -43.76 44.51 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 126.122 1.769 . . . . 0.0 113.268 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' B' ' 6' ' ' ARG . 36.3 p90 -105.01 -12.61 16.09 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.636 1.174 . . . . 0.0 112.385 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -73.56 31.99 0.07 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.649 1.18 . . . . 0.0 112.003 169.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' B' ' 4' ' ' PHE . 4.4 mmp_? -47.91 134.93 12.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.344 2.658 . . . . 0.0 109.309 163.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -57.23 -36.9 71.48 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -166.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.8 m -85.95 136.96 33.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.175 0.99 . . . . 0.0 111.041 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.401 ' HA3' ' CG ' ' B' ' 10' ' ' TYR . . . 164.46 -120.07 0.91 Allowed Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 104.525 -3.43 . . . . 0.0 104.525 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.401 ' CG ' ' HA3' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -169.58 148.78 3.78 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.646 2.778 . . . . 0.0 110.43 -8.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -140.65 60.02 1.54 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.908 2.083 . . . . 0.0 105.698 167.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.43 -40.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 128.982 2.913 . . . . 0.0 113.794 -166.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -72.98 -3.0 23.28 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.249 -0.881 . . . . 0.0 113.169 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . 0.268 0.7 OUTLIER -148.31 29.24 0.87 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.686 1.13 . . . . 0.0 112.445 152.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -120.34 -179.19 3.88 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 126.54 1.936 . . . . 0.0 109.73 165.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 pttt . . . . . 0 C--O 1.225 -0.188 0 C-N-CA 124.773 1.229 . . . . 0.0 110.618 -171.81 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -31.69 -48.38 0.14 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.889 2.876 . . . . 0.0 116.395 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.9 -20.79 64.14 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.628 1.171 . . . . 0.0 113.763 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -102.27 -11.1 18.97 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.494 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -71.44 26.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.097 1.359 . . . . 0.0 112.135 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -81.52 167.2 19.58 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 126.964 2.106 . . . . 0.0 111.925 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.68 -20.51 64.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.657 1.183 . . . . 0.0 112.936 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -56.35 -27.8 57.11 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 127.936 2.494 . . . . 0.0 116.074 -165.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.26 -112.55 2.25 Favored Glycine 0 C--O 1.222 -0.632 0 N-CA-C 106.512 -2.635 . . . . 0.0 106.512 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.23 155.76 8.15 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.057 2.143 . . . . 0.0 110.794 -5.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -140.51 77.34 1.6 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 160.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.26 -28.13 25.29 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 126.25 1.82 . . . . 0.0 112.422 -162.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -68.83 -10.4 56.66 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.613 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.34 -30.22 23.86 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.191 1.814 . . . . 0.0 112.653 165.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.88 -30.51 45.0 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.465 0.575 . . . . 0.0 111.713 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? . . . . . 0 N--CA 1.454 -0.257 0 C-N-CA 124.156 0.982 . . . . 0.0 110.611 -178.465 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.6 t0 . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.16 75.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.328 1.451 . . . . 0.0 112.58 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.77 -15.41 29.36 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 126.779 2.032 . . . . 0.0 114.997 174.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -103.56 -23.67 13.47 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.284 169.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 -73.61 48.31 0.26 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 110.566 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.4 161.1 14.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 129.194 2.998 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.85 -23.56 62.35 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.5 m -58.99 -12.25 4.38 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.042 1.737 . . . . 0.0 115.658 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.05 -123.97 2.64 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 105.914 -2.874 . . . . 0.0 105.914 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.71 163.33 29.77 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.842 2.057 . . . . 0.0 110.64 -3.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -142.07 64.17 1.39 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 126.135 1.774 . . . . 0.0 106.739 163.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -46.64 -34.19 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 C-N-CA 129.133 2.973 . . . . 0.0 114.003 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -66.48 -12.88 59.63 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.087 0.858 . . . . 0.0 113.297 -169.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -151.87 -6.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -94.2 159.39 15.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.719 1.145 . . . . 0.0 110.636 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 124.827 1.251 . . . . 0.0 112.557 -164.838 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 N--CA 1.462 0.138 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.85 78.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.022 0.929 . . . . 0.0 111.472 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.04 -10.09 57.51 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -104.89 -22.83 13.09 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.811 0.845 . . . . 0.0 111.588 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -75.71 44.23 0.28 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 110.446 168.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -86.37 174.87 8.74 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 128.704 2.802 . . . . 0.0 110.371 169.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -67.84 -12.35 60.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 m -60.99 -9.05 3.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.279 2.232 . . . . 0.0 116.046 -166.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.04 -120.02 1.11 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.7 -2.16 . . . . 0.0 107.7 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.78 153.68 7.44 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 121.247 2.524 . . . . 0.0 111.581 5.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -128.0 88.54 2.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 146.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.15 -13.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.966 1.706 . . . . 0.0 112.658 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.82 -18.32 54.9 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.455 171.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -90.52 -26.49 19.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 120.469 1.486 . . . . 0.0 112.884 167.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -71.09 -47.67 56.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.213 0.915 . . . . 0.0 110.507 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 N--CA 1.453 -0.288 0 C-N-CA 125.47 1.508 . . . . 0.0 109.36 -171.297 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -40.8 -58.46 1.66 Allowed 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.527 1.931 . . . . 0.0 114.777 -163.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.44 -37.55 57.14 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.995 1.318 . . . . 0.0 114.199 -170.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -109.35 -11.4 14.86 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.891 1.277 . . . . 0.0 112.99 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -79.05 65.96 4.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 107.411 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.22 149.75 22.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.132 1.773 . . . . 0.0 111.002 -168.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.3 -12.31 56.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.257 1.423 . . . . 0.0 111.506 174.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -57.22 -12.17 2.16 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.828 1.251 . . . . 0.0 114.014 -173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.37 -102.1 2.72 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 106.549 -2.62 . . . . 0.0 106.549 168.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.94 162.54 6.01 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 121.744 2.772 . . . . 0.0 111.098 0.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.72 77.95 1.39 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 154.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.04 -18.56 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 127.451 2.3 . . . . 0.0 114.757 -162.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -65.52 -11.87 47.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.489 1.041 . . . . 0.0 113.735 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -88.46 -5.71 58.08 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 116.714 -1.613 . . . . 0.0 113.557 173.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -106.59 156.58 18.45 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 121.161 1.801 . . . . 0.0 112.6 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? . . . . . 0 CA--C 1.535 0.395 0 C-N-CA 129.212 3.005 . . . . 0.0 112.195 -176.644 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.91 -50.17 19.25 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.796 2.039 . . . . 0.0 112.769 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -63.17 -11.9 24.03 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.57 -17.35 13.44 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 125.46 1.504 . . . . 0.0 111.856 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -76.51 46.58 0.44 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.863 0.865 . . . . 0.0 110.516 164.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -86.88 159.42 19.06 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 127.197 2.199 . . . . 0.0 108.946 170.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.56 -18.6 62.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.076 0.95 . . . . 0.0 112.758 165.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m -79.93 22.95 0.47 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -165.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.77 -124.7 2.08 Favored Glycine 0 C--N 1.341 0.831 0 N-CA-C 108.205 -1.958 . . . . 0.0 108.205 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.17 151.44 4.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.23 2.612 . . . . 0.0 111.097 -1.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -130.76 100.81 5.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 138.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.83 -17.35 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.502 1.921 . . . . 0.0 111.829 -177.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -61.96 -26.65 68.33 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.66 -0.686 . . . . 0.0 111.042 172.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -95.32 -13.3 24.9 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.034 -0.984 . . . . 0.0 113.604 171.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -60.43 -37.62 81.49 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.851 1.205 . . . . 0.0 109.882 158.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 CA--C 1.532 0.274 0 C-N-CA 126.623 1.969 . . . . 0.0 112.427 173.68 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.816 0.341 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.81 -97.16 0.16 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.085 0.954 . . . . 0.0 109.501 -177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -47.33 -46.11 25.14 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -153.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -93.75 -24.3 17.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.49 -0.766 . . . . 0.0 111.984 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.09 60.15 5.34 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 122.521 1.153 . . . . 0.0 108.897 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -84.95 159.84 20.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 128.043 2.537 . . . . 0.0 110.081 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.93 -39.07 72.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.131 1.372 . . . . 0.0 113.057 -174.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -84.94 139.42 31.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.976 0.91 . . . . 0.0 109.931 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.73 -127.65 2.42 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 105.356 -3.098 . . . . 0.0 105.356 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 153.29 5.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 129.252 3.021 . . . . 0.0 110.017 -5.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.94 69.12 1.36 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 125.143 1.377 . . . . 0.0 107.738 156.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.3 t -40.19 -40.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.233 0 C-N-CA 129.836 3.255 . . . . 0.0 113.707 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -79.79 4.04 17.64 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -166.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -152.81 -1.24 0.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 150.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.13 140.46 33.79 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 120.341 1.428 . . . . 0.0 109.799 162.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt . . . . . 0 CA--C 1.536 0.427 0 C-N-CA 126.114 1.766 . . . . 0.0 112.123 -176.064 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.77 -21.47 62.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.438 0.695 . . . . 0.0 112.778 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -138.1 -39.51 0.54 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.942 -143.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -99.92 -24.42 14.65 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 113.594 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -78.73 63.65 3.54 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 109.097 173.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -98.32 141.86 30.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.732 2.013 . . . . 0.0 110.193 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.78 -35.12 72.43 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 119.116 -0.469 . . . . 0.0 111.615 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -72.19 7.32 1.75 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.95 -124.89 5.46 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 105.279 -3.128 . . . . 0.0 105.279 158.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.67 157.34 2.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 128.784 2.834 . . . . 0.0 108.837 -1.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -131.55 88.58 2.59 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 146.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.73 -18.6 19.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 125.378 1.471 . . . . 0.0 111.721 -175.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -69.01 -16.0 63.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 117.742 -1.123 . . . . 0.0 113.185 -173.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -90.11 -21.89 22.05 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.328 0.967 . . . . 0.0 112.368 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -86.87 -30.67 21.25 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.137 0.975 . . . . 0.0 111.713 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt . . . . . 0 N--CA 1.455 -0.218 0 C-N-CA 125.167 1.387 . . . . 0.0 110.533 175.614 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.531 0.233 0 CA-C-O 121.521 0.677 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.9 2.13 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 127.78 2.432 . . . . 0.0 114.438 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -63.72 -20.63 65.89 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -114.15 6.3 16.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.53 1.059 . . . . 0.0 112.355 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -79.0 48.83 0.88 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.124 1.37 . . . . 0.0 109.597 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -109.83 169.14 8.91 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 125.736 1.615 . . . . 0.0 113.09 -158.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -62.39 -20.64 64.65 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.993 1.317 . . . . 0.0 112.576 165.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -67.67 7.64 0.47 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.11 2.164 . . . . 0.0 115.65 -164.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.0 -106.95 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 107.484 -2.246 . . . . 0.0 107.484 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.49 149.35 9.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 120.954 2.377 . . . . 0.0 111.375 -7.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -124.12 121.83 36.22 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 132.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -86.7 -22.8 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.968 1.307 . . . . 0.0 110.414 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -62.38 -29.1 70.23 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -156.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -140.44 31.1 1.91 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.408 1.483 . . . . 0.0 110.362 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.36 160.38 21.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.042 0.937 . . . . 0.0 112.998 -170.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.224 -0.28 0 C-N-CA 123.466 0.706 . . . . 0.0 109.863 -178.781 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.15 -73.84 0.63 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.701 1.6 . . . . 0.0 111.712 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -55.33 -36.17 65.95 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -158.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -109.14 -10.86 14.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.626 1.17 . . . . 0.0 112.4 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HD2' HG11 ' A' ' 12' ' ' VAL . 46.0 mmm-85 -74.17 62.1 0.9 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.769 1.628 . . . . 0.0 108.343 167.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -103.89 149.75 24.8 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.481 1.512 . . . . 0.0 110.305 -168.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.47 -22.74 18.69 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.968 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -71.49 3.6 3.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.5 -107.18 2.19 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 104.956 -3.258 . . . . 0.0 104.956 160.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.85 144.98 1.38 Allowed 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 128.056 2.542 . . . . 0.0 108.837 -6.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -123.96 93.11 3.83 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 145.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 5' ' ' ARG . 24.0 t -64.57 -29.83 48.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 C-N-CA 123.908 0.883 . . . . 0.0 110.6 -174.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -67.2 -32.23 73.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -72.69 -33.03 66.22 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.156 0.889 . . . . 0.0 111.934 170.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -84.13 -38.01 21.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 125.64 1.576 . . . . 0.0 111.343 -170.741 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 118.37 -0.824 . . . . 0.0 112.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.59 54.24 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -170.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.16 -25.43 61.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.933 2.093 . . . . 0.0 113.788 174.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -122.54 -21.84 5.6 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.508 1.123 . . . . 0.0 112.693 172.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.23 49.69 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.98 1.712 . . . . 0.0 107.812 160.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -53.09 172.97 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 130.786 3.634 . . . . 0.0 111.687 172.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.32 -37.35 10.08 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.3 0.5 . . . . 0.0 110.807 170.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m -117.98 147.02 43.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.18 1.792 . . . . 0.0 109.783 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.42 -121.6 0.62 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.419 ' CZ ' HG22 ' B' ' 12' ' ' VAL . 0.1 OUTLIER -176.78 158.75 1.7 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 120.764 2.282 . . . . 0.0 110.515 9.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -138.6 122.35 17.58 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 118.133 -1.427 . . . . 0.0 107.172 117.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.419 HG22 ' CZ ' ' B' ' 10' ' ' TYR . 84.2 t -57.01 -36.82 52.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 124.876 1.27 . . . . 0.0 110.781 -173.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -69.91 -18.82 63.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.263 -0.875 . . . . 0.0 112.988 -169.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -103.56 -2.92 25.97 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.454 -1.26 . . . . 0.0 113.713 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -94.72 155.75 16.7 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.754 1.161 . . . . 0.0 112.006 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 C--O 1.225 -0.233 0 C-N-CA 124.985 1.314 . . . . 0.0 111.329 -173.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.26 62.56 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.34 1.456 . . . . 0.0 113.921 -174.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.34 -33.48 74.79 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.224 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -97.53 -17.51 19.54 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 116.973 -1.489 . . . . 0.0 114.026 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -75.2 47.19 0.35 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.835 1.654 . . . . 0.0 110.157 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -78.57 150.79 32.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 126.782 2.033 . . . . 0.0 110.021 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.25 -26.51 68.42 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.519 1.128 . . . . 0.0 112.691 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 m -75.11 -1.91 25.17 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -165.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.33 -124.36 2.99 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 107.545 -2.222 . . . . 0.0 107.545 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.68 151.26 9.1 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.977 2.511 . . . . 0.0 110.36 -1.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -130.25 82.84 2.08 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 157.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.29 -6.99 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.848 2.059 . . . . 0.0 113.35 -170.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -60.93 -19.76 61.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.462 1.028 . . . . 0.0 111.622 167.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -84.11 0.83 46.88 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -127.21 -43.08 1.66 Allowed 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 112.518 -173.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt . . . . . 0 CA--C 1.531 0.229 0 C-N-CA 125.607 1.563 . . . . 0.0 109.848 -178.169 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--O 1.225 -0.227 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.06 -41.82 2.7 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 127.982 2.513 . . . . 0.0 114.177 -170.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.77 -35.38 61.24 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 117.404 -1.284 . . . . 0.0 113.863 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.4 ' C ' ' H ' ' B' ' 6' ' ' ARG . 37.0 p90 -112.96 -19.88 11.76 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.652 1.115 . . . . 0.0 112.198 172.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.89 50.25 0.99 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.9 1.68 . . . . 0.0 108.824 164.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' B' ' 4' ' ' PHE . 5.9 mmp_? -61.49 155.4 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 129.869 3.268 . . . . 0.0 110.374 172.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.12 -19.78 12.92 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.878 1.271 . . . . 0.0 113.265 -169.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -80.21 82.17 6.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.124 0.875 . . . . 0.0 110.19 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.12 -109.54 0.28 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.43 161.9 19.07 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 128.795 2.838 . . . . 0.0 110.044 -9.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.2 86.09 1.35 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 155.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.91 -26.7 36.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 126.427 1.891 . . . . 0.0 113.809 -162.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -60.82 -20.94 62.6 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.945 1.248 . . . . 0.0 113.129 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.37 1.46 51.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.885 1.274 . . . . 0.0 112.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -149.77 175.54 11.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.174 1.389 . . . . 0.0 110.66 -158.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 123.609 0.764 . . . . 0.0 112.203 173.264 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -36.53 -59.69 0.64 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 127.253 2.221 . . . . 0.0 114.932 -159.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.52 -37.12 16.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.922 1.689 . . . . 0.0 115.017 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -112.8 -12.6 13.31 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.444 1.098 . . . . 0.0 112.93 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.08 60.89 3.75 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.107 1.763 . . . . 0.0 109.358 168.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -85.79 151.39 23.86 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.589 1.956 . . . . 0.0 110.561 -171.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.56 -9.04 55.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.574 1.949 . . . . 0.0 112.685 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -65.59 -11.5 44.78 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.17 -108.04 1.59 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.39 162.53 10.34 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 127.605 2.362 . . . . 0.0 109.438 6.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -139.1 83.84 1.97 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 151.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.55 -20.59 19.01 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 126.017 1.727 . . . . 0.0 112.364 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -62.08 -24.42 67.1 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 120.433 1.47 . . . . 0.0 112.476 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.5 -27.1 21.68 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.648 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -61.63 -48.7 79.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.674 1.124 . . . . 0.0 108.839 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 N--CA 1.449 -0.488 0 C-N-CA 124.888 1.275 . . . . 0.0 109.445 172.275 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.28 -22.3 4.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.216 1.806 . . . . 0.0 115.395 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.88 -41.91 98.43 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.124 0.874 . . . . 0.0 111.318 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.23 -8.28 7.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.475 1.11 . . . . 0.0 113.5 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.43 ' HD2' HG11 ' B' ' 12' ' ' VAL . 44.5 mmm-85 -80.27 77.8 6.99 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.271 1.428 . . . . 0.0 108.175 167.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -122.92 166.02 15.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.731 2.012 . . . . 0.0 111.634 -160.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.42 -18.08 64.36 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.908 1.283 . . . . 0.0 112.034 164.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.9 m -63.12 -3.45 1.77 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 127.404 2.281 . . . . 0.0 116.575 -161.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.18 -99.31 0.86 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 106.497 -2.641 . . . . 0.0 106.497 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.79 159.53 18.65 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 120.164 1.982 . . . . 0.0 111.857 -3.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -151.02 75.46 1.2 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 147.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.43 HG11 ' HD2' ' B' ' 5' ' ' ARG . 73.7 t -39.68 -44.27 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 128.272 2.629 . . . . 0.0 114.226 -160.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -59.66 -22.56 62.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.762 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -153.08 -0.25 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -125.57 156.82 38.51 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 120.424 1.465 . . . . 0.0 111.728 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt . . . . . 0 C--O 1.223 -0.295 0 C-N-CA 127.679 2.392 . . . . 0.0 112.078 -168.066 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--O 1.224 -0.254 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.28 83.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.316 0.962 . . . . 0.0 112.336 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.29 -9.29 46.59 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.434 1.494 . . . . 0.0 114.714 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' ARG . 19.6 m-85 -111.59 -21.58 11.66 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 124.152 0.981 . . . . 0.0 112.575 170.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 46.06 0.36 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.996 1.718 . . . . 0.0 109.267 166.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' PHE . 5.4 mmp_? -70.68 179.95 2.4 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.055 2.542 . . . . 0.0 110.048 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.19 -46.68 82.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.7 m -147.79 152.01 36.98 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 124.531 1.132 . . . . 0.0 111.983 -165.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.02 -120.52 0.92 Allowed Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 106.705 -2.558 . . . . 0.0 106.705 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.31 156.69 7.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.98 2.912 . . . . 0.0 109.152 -8.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -134.52 91.95 2.85 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 143.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.96 -18.76 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.855 2.062 . . . . 0.0 113.599 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -57.56 -38.71 75.25 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.009 0.924 . . . . 0.0 110.947 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.583 ' CE1' HE21 ' B' ' 15' ' ' GLN . 63.5 m-70 -83.99 -16.6 43.42 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.552 174.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.95 -41.23 68.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 120.138 1.335 . . . . 0.0 111.617 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 122.633 0.373 . . . . 0.0 110.851 172.728 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -38.59 -38.72 0.42 Allowed 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 128.556 2.742 . . . . 0.0 115.894 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.14 -34.06 59.45 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 124.886 1.274 . . . . 0.0 113.945 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -113.99 -22.59 10.0 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.317 0.962 . . . . 0.0 111.252 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -77.85 62.23 2.65 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 122.665 1.221 . . . . 0.0 108.593 161.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -74.12 132.32 42.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.862 2.465 . . . . 0.0 109.778 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -66.53 -21.54 66.16 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.998 169.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.4 m -62.3 -11.81 17.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.43 -115.55 3.88 Favored Glycine 0 C--N 1.341 0.808 0 N-CA-C 106.211 -2.756 . . . . 0.0 106.211 166.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.82 161.68 11.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 127.664 2.385 . . . . 0.0 110.806 -4.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -146.42 75.61 1.41 Allowed 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 158.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -49.24 -30.21 4.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 127.731 2.412 . . . . 0.0 113.096 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.93 -20.47 65.24 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -162.05 -11.29 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 173.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.583 HE21 ' CE1' ' A' ' 14' ' ' HIS . 18.6 mm-40 -109.78 149.53 29.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 120.438 1.472 . . . . 0.0 110.947 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttp . . . . . 0 CA--C 1.534 0.356 0 C-N-CA 124.469 1.108 . . . . 0.0 112.866 -179.543 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.8 t0 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 111.268 0.099 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.0 -52.92 8.33 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 126.646 1.979 . . . . 0.0 114.503 -161.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.73 -13.68 16.48 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 p90 -130.04 -3.33 4.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.68 1.192 . . . . 0.0 112.258 171.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -79.67 51.0 1.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.765 0.826 . . . . 0.0 108.831 155.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.55 161.2 14.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.784 2.034 . . . . 0.0 109.87 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -75.06 -21.37 59.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -69.21 0.1 5.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -167.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.29 -132.18 4.73 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 108.071 -2.012 . . . . 0.0 108.071 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.64 160.9 17.93 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.231 2.016 . . . . 0.0 111.816 5.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -138.42 100.72 4.18 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 136.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.82 -26.18 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 125.686 1.594 . . . . 0.0 110.997 -174.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -59.43 -40.25 86.12 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.648 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -81.21 -37.84 27.98 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 120.023 1.283 . . . . 0.0 112.179 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.21 -35.26 73.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HE3' ' CG ' ' A' ' 4' ' ' PHE . 71.6 mmtt . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 122.898 0.479 . . . . 0.0 111.366 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.27 0.081 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.51 84.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.919 0.887 . . . . 0.0 111.523 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -57.26 -18.3 15.72 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.368 1.867 . . . . 0.0 114.506 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -113.71 -13.76 12.65 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 124.328 1.051 . . . . 0.0 113.692 174.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.428 ' HD2' HG21 ' B' ' 12' ' ' VAL . 8.9 mmm180 -79.19 55.84 1.92 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.515 1.126 . . . . 0.0 108.887 167.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -91.59 -11.17 37.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.45 1.5 . . . . 0.0 113.697 -171.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -173.17 164.78 4.85 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.51 0.724 . . . . 0.0 110.743 -161.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.1 m -57.72 130.04 44.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.657 0.383 . . . . 0.0 109.975 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.06 -126.53 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.83 162.21 39.71 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 128.185 2.594 . . . . 0.0 109.073 -7.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -143.82 71.45 1.32 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 159.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.428 HG21 ' HD2' ' B' ' 5' ' ' ARG . 2.5 t -52.22 -19.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.269 0 C-N-CA 127.277 2.231 . . . . 0.0 114.206 -166.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -59.78 -19.49 50.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.681 1.128 . . . . 0.0 113.097 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.9 -29.49 17.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 120.77 1.623 . . . . 0.0 112.923 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -68.88 -43.22 75.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.479 1.112 . . . . 0.0 110.703 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 tttp . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 127.428 2.291 . . . . 0.0 113.621 -168.747 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.224 -0.253 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.43 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 123.795 0.838 . . . . 0.0 113.161 -158.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.52 -21.82 53.44 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 173.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -100.33 -16.71 17.57 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 125.266 1.427 . . . . 0.0 112.952 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -70.94 21.92 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.618 1.167 . . . . 0.0 112.556 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -72.6 159.75 33.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.519 1.927 . . . . 0.0 109.946 173.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -70.09 -24.83 63.28 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.248 1.419 . . . . 0.0 113.136 171.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.8 m -78.46 62.1 3.0 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.317 1.447 . . . . 0.0 112.924 -169.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.38 -123.16 0.69 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 168.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.21 149.56 5.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 120.759 2.28 . . . . 0.0 111.387 1.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -131.78 88.66 2.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.618 -1.174 . . . . 0.0 107.883 149.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.59 -20.47 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 127.106 2.163 . . . . 0.0 113.523 -170.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.99 -39.23 88.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.951 0.796 . . . . 0.0 110.737 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -74.09 -26.18 60.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 118.276 -0.868 . . . . 0.0 112.11 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -68.89 -43.22 75.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 118.925 0.784 . . . . 0.0 111.134 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt . . . . . 0 C--O 1.223 -0.309 0 C-N-CA 125.549 1.54 . . . . 0.0 112.474 -175.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -39.88 -42.5 1.33 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.654 1.981 . . . . 0.0 111.545 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.1 -23.39 54.66 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 125.363 1.465 . . . . 0.0 113.851 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -102.25 -13.11 17.52 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.695 1.134 . . . . 0.0 112.651 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -76.3 27.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.734 0.814 . . . . 0.0 111.957 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.83 155.99 38.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.308 1.843 . . . . 0.0 110.646 174.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.23 -13.78 60.87 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.394 0.678 . . . . 0.0 112.665 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -64.55 -14.12 55.99 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -163.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.23 -127.16 2.99 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 107.401 -2.28 . . . . 0.0 107.401 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.9 155.36 3.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.988 2.394 . . . . 0.0 111.279 13.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -133.53 93.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 106.025 -1.842 . . . . 0.0 106.025 150.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.13 -36.3 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.992 1.317 . . . . 0.0 111.727 -170.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -69.4 -20.09 63.81 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -164.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -145.86 53.13 1.15 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 164.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -55.25 163.12 1.22 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.659 1.583 . . . . 0.0 112.285 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 mttt . . . . . 0 N--CA 1.455 -0.179 0 C-N-CA 123.761 0.825 . . . . 0.0 111.811 178.482 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.09 -47.55 45.1 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 126.331 1.852 . . . . 0.0 113.209 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.86 -4.8 13.86 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -111.47 -15.75 13.46 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.674 1.19 . . . . 0.0 112.34 170.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -74.05 35.82 0.09 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.507 1.049 . . . . 0.0 111.203 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -82.07 165.55 20.51 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.653 1.981 . . . . 0.0 111.835 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -77.26 -29.2 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.444 0.698 . . . . 0.0 112.725 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 m -86.51 64.01 8.3 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.849 0.749 . . . . 0.0 111.864 -173.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.17 -130.67 1.2 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 172.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 144.21 6.27 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.644 2.377 . . . . 0.0 110.135 -1.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -127.52 78.82 1.85 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 156.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -49.09 -39.04 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 C-N-CA 128.352 2.661 . . . . 0.0 114.958 -159.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -66.0 -25.55 67.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.857 -170.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -73.02 -10.7 60.08 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 117.935 -1.031 . . . . 0.0 113.677 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -30.02 69.96 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.885 1.22 . . . . 0.0 112.084 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt . . . . . 0 C--O 1.222 -0.363 0 C-N-CA 124.746 1.218 . . . . 0.0 112.988 171.555 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.79 -44.93 66.94 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.763 1.225 . . . . 0.0 113.913 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -55.87 -35.33 66.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -167.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -106.95 -4.58 18.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 118.137 -0.935 . . . . 0.0 113.304 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 tpp85 -71.06 79.55 0.67 Allowed 'General case' 0 C--N 1.347 0.457 0 C-N-CA 125.044 1.338 . . . . 0.0 108.475 161.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -122.57 157.95 30.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.033 1.733 . . . . 0.0 110.956 -168.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.63 -31.49 28.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.585 0.754 . . . . 0.0 112.854 -176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m -80.44 76.36 7.27 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.732 0.813 . . . . 0.0 112.133 -166.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.03 -103.62 0.17 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 107.032 -2.427 . . . . 0.0 107.032 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.8 156.54 6.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.022 2.529 . . . . 0.0 110.547 -10.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -138.49 96.39 3.16 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.639 135.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 t -60.54 -32.07 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.633 0.773 . . . . 0.0 111.862 -169.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -62.77 -14.77 48.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -165.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.49 -10.38 27.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -96.8 165.59 12.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 121.485 1.948 . . . . 0.0 112.767 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--O 1.225 -0.191 0 C-N-CA 126.319 1.848 . . . . 0.0 110.808 174.702 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -137.21 149.47 47.22 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.331 1.052 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.27 77.78 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -155.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.56 -27.0 67.34 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -116.72 -11.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.523 1.129 . . . . 0.0 113.646 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -73.96 70.48 1.5 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 122.619 1.199 . . . . 0.0 108.557 159.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -105.61 147.99 27.82 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 127.486 2.314 . . . . 0.0 107.756 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -77.8 -20.11 53.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 126.363 1.865 . . . . 0.0 111.598 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.1 m -84.02 12.92 5.56 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.072 1.349 . . . . 0.0 113.825 -165.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -122.57 3.41 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 104.651 -3.38 . . . . 0.0 104.651 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.92 156.81 9.41 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.895 2.478 . . . . 0.0 109.427 -4.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.1 102.68 7.07 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 135.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.87 -17.92 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 125.437 1.495 . . . . 0.0 113.079 -172.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -61.15 -19.02 61.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -103.13 4.23 36.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.752 1.221 . . . . 0.0 113.549 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -122.38 169.53 10.86 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.392 1.477 . . . . 0.0 112.005 167.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -115.8 -36.61 4.13 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.252 -164.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 O-C-N 121.141 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -95.0 159.88 14.82 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.422 1.089 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.8 -33.68 50.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 126.245 1.818 . . . . 0.0 114.858 -167.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -67.95 -33.83 75.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.333 1.053 . . . . 0.0 111.597 -171.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -119.04 -2.45 10.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.414 1.485 . . . . 0.0 114.682 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.477 ' HD2' HG11 ' B' ' 12' ' ' VAL . 33.4 mmm-85 -74.01 77.11 1.7 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.992 1.317 . . . . 0.0 108.245 153.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -123.3 152.02 41.83 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.108 2.563 . . . . 0.0 109.345 -173.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.96 -7.91 56.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.668 0.787 . . . . 0.0 112.922 166.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -76.33 15.14 0.63 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.786 1.635 . . . . 0.0 114.125 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.47 -108.5 1.07 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 105.2 -3.16 . . . . 0.0 105.2 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.72 152.99 1.69 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 128.213 2.605 . . . . 0.0 109.646 -4.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -140.86 82.75 1.86 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 154.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' B' ' 5' ' ' ARG . 94.1 t -55.79 -25.47 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 C-N-CA 127.663 2.385 . . . . 0.0 112.678 -161.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -63.34 -20.09 65.2 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.682 0.614 . . . . 0.0 112.572 -167.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -150.57 10.5 0.65 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 169.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -100.62 161.79 13.36 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.802 1.241 . . . . 0.0 110.507 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -140.09 166.5 24.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.813 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.786 -0.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -68.31 149.91 48.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.324 0.65 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.85 62.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.056 1.342 . . . . 0.0 111.812 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.67 -13.2 61.67 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' CD1' ' HG2' ' A' ' 15' ' ' GLN . 18.3 m-85 -105.76 -21.27 13.21 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.598 1.09 . . . . 0.0 112.507 173.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -75.67 63.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.2 1.0 . . . . 0.0 109.079 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -98.88 154.38 18.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.859 2.464 . . . . 0.0 109.973 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -64.55 -41.93 96.01 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 112.329 171.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.8 m -83.69 67.67 9.57 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.385 1.474 . . . . 0.0 112.015 -172.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.96 -137.37 2.42 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.26 156.49 5.79 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.759 3.223 . . . . 0.0 107.31 -1.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -136.81 100.2 4.25 Favored 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 147.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.5 -15.13 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.351 1.46 . . . . 0.0 112.956 -166.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -58.03 -24.96 60.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -100.33 6.92 44.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.942 0.897 . . . . 0.0 112.648 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.403 ' HG2' ' CD1' ' A' ' 4' ' ' PHE . 66.2 tp60 -78.47 -77.75 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.359 0.981 . . . . 0.0 110.214 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -75.52 -24.73 56.84 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -170.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 119.399 0.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -112.04 -16.16 13.13 Favored 'General case' 0 N--CA 1.461 0.091 0 C-N-CA 126.39 1.876 . . . . 0.0 113.558 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.74 -37.75 6.27 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 126.02 1.728 . . . . 0.0 113.773 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -54.7 -34.92 63.04 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 126.014 1.725 . . . . 0.0 113.723 -177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -109.72 -16.13 13.98 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.917 172.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 mmm-85 -81.76 52.37 1.9 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 122.302 1.048 . . . . 0.0 109.843 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.48 152.54 43.9 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.365 2.666 . . . . 0.0 109.888 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -63.8 -40.11 95.86 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.402 1.081 . . . . 0.0 113.256 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.9 m -84.95 121.16 27.36 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.84 0.856 . . . . 0.0 109.16 -167.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.85 -134.86 4.07 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 107.655 -2.178 . . . . 0.0 107.655 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.05 147.43 5.58 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.614 2.365 . . . . 0.0 110.265 -3.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -134.24 74.31 1.53 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.614 1.166 . . . . 0.0 108.062 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.18 -27.66 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 128.083 2.553 . . . . 0.0 114.747 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.04 -11.26 56.58 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -82.59 -20.56 36.24 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 170.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.95 146.45 35.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 119.509 1.05 . . . . 0.0 113.275 -158.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -130.24 -4.05 4.4 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.122 2.169 . . . . 0.0 111.491 -169.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.011 0 O-C-N 121.017 -1.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.006 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.18 169.53 2.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.725 1.61 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.95 -38.61 76.3 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.48 1.112 . . . . 0.0 113.446 -169.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.16 -11.32 8.56 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.211 1.804 . . . . 0.0 114.776 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -107.7 -26.87 10.63 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 125.194 1.398 . . . . 0.0 112.085 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -67.73 17.87 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 113.085 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -53.11 141.7 22.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 126.517 1.927 . . . . 0.0 111.193 170.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.47 -20.75 65.52 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.457 1.103 . . . . 0.0 111.176 167.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -63.29 -0.82 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.291 1.836 . . . . 0.0 114.888 -173.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 -120.99 2.58 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 107.317 -2.313 . . . . 0.0 107.317 171.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.54 145.46 1.59 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 120.894 2.347 . . . . 0.0 111.229 2.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -129.07 82.45 2.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 152.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.57 -26.78 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 128.618 2.767 . . . . 0.0 113.694 -166.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -54.25 -28.71 43.24 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -91.58 1.56 57.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.379 1.445 . . . . 0.0 114.506 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -135.46 -67.65 0.53 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.591 1.156 . . . . 0.0 109.074 -174.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.291 0.1 OUTLIER 56.43 6.05 0.24 Allowed 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 127.766 2.426 . . . . 0.0 114.574 174.537 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 120.714 1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.7 154.37 5.07 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.162 2.185 . . . . 0.0 113.289 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.95 -42.59 59.88 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 125.973 1.709 . . . . 0.0 113.121 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.37 -17.01 51.97 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -106.27 -12.45 15.7 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.461 1.504 . . . . 0.0 112.603 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -76.05 51.22 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.044 1.338 . . . . 0.0 110.33 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.79 172.53 8.57 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 127.829 2.452 . . . . 0.0 110.742 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -71.72 -33.0 68.36 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -168.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -115.06 129.62 56.74 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.497 1.044 . . . . 0.0 113.24 -171.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.402 ' HA3' ' CG ' ' B' ' 10' ' ' TYR . . . 156.19 -129.34 2.43 Favored Glycine 0 CA--C 1.533 1.16 0 N-CA-C 105.951 -2.859 . . . . 0.0 105.951 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.402 ' CG ' ' HA3' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -175.81 145.4 0.68 Allowed 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 122.276 3.038 . . . . 0.0 110.184 -1.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -128.07 107.3 9.7 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 140.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.67 -18.45 23.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 C-N-CA 125.934 1.693 . . . . 0.0 113.012 -168.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -62.47 -23.64 67.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 119.097 -0.477 . . . . 0.0 111.556 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -91.97 -13.84 30.45 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.221 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -55.83 -34.62 65.56 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 119.591 1.087 . . . . 0.0 111.836 173.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -130.49 168.96 16.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.969 1.708 . . . . 0.0 109.589 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 120.745 -1.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.52 117.36 5.19 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 123.606 0.762 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.66 93.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.898 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -57.34 -23.58 49.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.15 0.98 . . . . 0.0 112.893 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -96.96 -17.75 19.89 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.95 18.62 0.13 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.925 1.238 . . . . 0.0 113.636 -175.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.09 162.91 25.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.178 2.191 . . . . 0.0 113.958 -165.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.92 -14.83 17.47 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.299 1.44 . . . . 0.0 112.661 165.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -61.9 -2.64 0.92 Allowed 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.491 2.316 . . . . 0.0 114.436 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.83 -118.17 0.95 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 106.674 -2.571 . . . . 0.0 106.674 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.82 146.04 5.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.903 2.352 . . . . 0.0 112.141 3.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.19 89.93 2.57 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 150.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -53.92 -26.07 13.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 126.205 1.802 . . . . 0.0 112.076 -166.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -66.72 -13.82 61.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -91.22 -3.4 56.98 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.597 1.09 . . . . 0.0 113.176 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -122.66 -32.09 3.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.62 1.168 . . . . 0.0 110.93 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -130.1 166.26 20.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.885 1.674 . . . . 0.0 109.377 170.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 O-C-N 121.309 -0.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.448 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.0 162.7 25.76 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.888 1.675 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.43 86.95 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.605 -172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.44 -9.19 23.46 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -102.55 -25.77 13.47 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 116.871 -1.538 . . . . 0.0 113.6 171.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -71.22 45.94 0.1 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.724 1.61 . . . . 0.0 111.089 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -91.31 162.52 14.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.763 2.825 . . . . 0.0 110.683 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.22 -27.64 63.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.151 0.98 . . . . 0.0 112.72 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.9 m -72.88 94.82 1.87 Allowed 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 123.658 0.783 . . . . 0.0 110.852 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.5 -121.77 1.44 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 104.524 -3.43 . . . . 0.0 104.524 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.89 4.94 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.832 2.453 . . . . 0.0 109.978 -9.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -131.37 92.78 3.23 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 147.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 65.9 t -55.9 -19.71 7.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 C-N-CA 126.215 1.806 . . . . 0.0 112.9 -170.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -56.21 -20.63 18.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 124.921 1.288 . . . . 0.0 113.904 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -109.57 6.1 23.67 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 120.06 1.3 . . . . 0.0 113.138 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -59.11 -38.31 79.25 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 120.21 1.368 . . . . 0.0 113.455 -169.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -65.93 -22.76 66.51 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.122 2.169 . . . . 0.0 112.895 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.116 0 CA-C-N 119.594 1.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.144 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.85 151.73 31.69 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.635 0.774 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.21 -40.16 73.6 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.42 1.488 . . . . 0.0 112.139 -175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.21 -21.14 21.38 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.875 -1.536 . . . . 0.0 113.71 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -102.07 -13.03 17.68 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.261 1.424 . . . . 0.0 113.494 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -74.22 43.39 0.17 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.714 1.206 . . . . 0.0 110.892 174.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.9 152.6 20.67 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.746 2.018 . . . . 0.0 112.053 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.75 -13.37 32.0 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -54.38 -13.99 1.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 127.247 2.219 . . . . 0.0 115.299 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.94 -129.78 1.83 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.03 153.04 4.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.624 2.212 . . . . 0.0 111.483 11.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -134.3 71.21 1.45 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.458 1.503 . . . . 0.0 107.8 161.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.11 -24.96 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 129.637 3.175 . . . . 0.0 115.204 -165.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -73.54 -4.87 36.6 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.262 0.937 . . . . 0.0 112.352 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -89.46 -1.48 58.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.364 1.438 . . . . 0.0 113.524 163.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -131.47 163.18 28.53 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 125.374 1.47 . . . . 0.0 111.088 -167.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -79.36 -34.17 42.29 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.493 1.117 . . . . 0.0 111.81 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 118.934 0.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.404 ' H1 ' ' CZ ' ' B' ' 4' ' ' PHE . . . . . . . . 0 C--O 1.226 -0.163 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.58 152.68 29.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.718 0.807 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.54 -41.41 21.2 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 126.088 1.755 . . . . 0.0 114.974 -165.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.43 -27.27 69.18 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.404 ' CZ ' ' H1 ' ' B' ' 0' ' ' ACE . 24.1 p90 -117.18 -11.34 10.69 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.192 0.597 . . . . 0.0 111.758 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -78.15 81.13 4.54 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.268 1.427 . . . . 0.0 107.235 167.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -117.43 177.63 4.67 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.505 2.322 . . . . 0.0 110.094 -168.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -63.22 -38.28 90.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.915 0.486 . . . . 0.0 111.399 168.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -150.74 172.61 15.31 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.32 2.248 . . . . 0.0 110.764 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.87 -101.21 0.15 Allowed Glycine 0 CA--C 1.534 1.252 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.11 146.41 7.56 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.921 1.86 . . . . 0.0 112.015 -1.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.76 78.07 1.78 Allowed 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 150.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -38.57 -39.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 127.892 2.477 . . . . 0.0 112.934 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -56.94 -27.77 61.45 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 117.039 -1.458 . . . . 0.0 113.918 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -165.48 -2.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.845 1.795 . . . . 0.0 115.845 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -156.31 162.28 40.11 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 121.818 2.099 . . . . 0.0 112.583 -163.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -65.48 -18.51 65.37 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 126.352 1.861 . . . . 0.0 113.286 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 119.737 1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.212 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -63.83 167.86 5.63 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.26 61.62 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 126.934 2.094 . . . . 0.0 113.47 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.98 -19.51 52.68 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 125.904 1.682 . . . . 0.0 113.75 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -107.2 -17.33 14.18 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 125.357 1.463 . . . . 0.0 112.137 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -72.15 19.74 0.07 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.098 0.959 . . . . 0.0 112.339 170.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -58.41 151.15 20.59 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.686 1.594 . . . . 0.0 110.135 165.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.29 -26.12 68.63 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 166.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.7 m -74.98 90.9 2.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.184 0.994 . . . . 0.0 111.236 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.99 -129.48 2.26 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 106.117 -2.793 . . . . 0.0 106.117 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -163.5 155.32 17.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.67 2.788 . . . . 0.0 111.088 -6.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.29 95.19 2.96 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 141.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -58.33 -16.21 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 126.962 2.105 . . . . 0.0 113.353 -172.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.24 -26.72 68.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.024 0.929 . . . . 0.0 111.979 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -88.88 -11.89 43.34 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.273 1.397 . . . . 0.0 112.448 172.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -84.7 -30.08 25.08 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.175 0.99 . . . . 0.0 111.982 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -165.56 156.74 14.03 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.415 1.486 . . . . 0.0 108.941 -176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.207 -0.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -75.7 -32.97 60.32 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.61 -46.82 40.11 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 124.482 1.113 . . . . 0.0 112.196 -164.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.01 -22.78 61.21 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 116.158 1.911 . . . . 0.0 116.158 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -116.53 -18.19 10.44 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.162 0.892 . . . . 0.0 111.709 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -77.59 68.63 3.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 162.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -96.98 147.32 24.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.762 2.025 . . . . 0.0 109.892 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -64.5 -16.43 62.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.848 0.859 . . . . 0.0 112.01 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -64.45 4.57 0.36 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 129.156 2.982 . . . . 0.0 114.676 -175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.46 -111.4 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 105.888 -2.885 . . . . 0.0 105.888 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.0 145.06 2.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 120.814 2.307 . . . . 0.0 108.971 -2.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -132.62 71.39 1.47 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 158.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 t -42.62 -38.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 128.634 2.774 . . . . 0.0 113.263 -169.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -65.92 -20.13 66.11 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 117.371 -1.3 . . . . 0.0 113.877 -164.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -140.63 4.55 1.95 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.617 1.098 . . . . 0.0 112.469 164.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.09 -158.9 0.4 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.662 0.785 . . . . 0.0 109.38 161.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -69.3 1.74 3.54 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -173.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.032 0 CA-C-N 120.417 1.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -81.28 174.09 11.86 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.032 1.333 . . . . 0.0 112.795 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.72 87.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.987 1.715 . . . . 0.0 113.405 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.79 -14.3 8.39 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.811 2.045 . . . . 0.0 114.548 172.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -109.88 -11.35 14.69 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 124.368 1.067 . . . . 0.0 112.727 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -76.75 31.75 0.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.6 1.091 . . . . 0.0 112.08 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -83.86 161.98 20.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 128.095 2.558 . . . . 0.0 111.487 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.67 -17.76 64.7 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.791 -0.568 . . . . 0.0 111.811 164.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 m -65.9 13.57 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.401 2.28 . . . . 0.0 115.541 -173.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.37 -120.05 1.09 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 167.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.16 149.95 2.93 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 120.422 2.111 . . . . 0.0 110.691 4.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.71 90.14 2.67 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 152.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.75 -20.62 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 128.02 2.528 . . . . 0.0 113.994 -167.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.18 -17.38 64.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.419 -0.8 . . . . 0.0 111.119 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -99.3 -9.08 24.04 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.858 -1.068 . . . . 0.0 113.792 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -58.42 -41.75 85.72 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.532 1.06 . . . . 0.0 108.912 155.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -78.4 -7.1 56.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.72 2.008 . . . . 0.0 112.153 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.02 0 O-C-N 120.692 -1.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.232 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -91.91 148.47 22.19 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.38 73.82 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 125.324 1.45 . . . . 0.0 113.318 -177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.56 -25.13 62.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.118 1.367 . . . . 0.0 113.593 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -96.55 -16.91 20.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 117.8 -1.095 . . . . 0.0 112.076 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -74.9 32.59 0.1 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.564 1.146 . . . . 0.0 112.278 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -83.67 157.69 22.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.416 1.886 . . . . 0.0 109.972 174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.97 -12.53 55.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.086 1.354 . . . . 0.0 112.806 167.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -78.13 59.93 2.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 112.875 -165.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.19 -115.73 0.52 Allowed Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 106.917 -2.473 . . . . 0.0 106.917 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.64 156.42 6.51 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 127.84 2.456 . . . . 0.0 109.341 -0.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -133.21 114.97 14.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 131.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.28 -16.67 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.623 1.169 . . . . 0.0 113.213 -163.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -64.05 -14.81 57.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.494 1.043 . . . . 0.0 111.732 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -139.62 -71.84 0.39 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 119.334 0.97 . . . . 0.0 112.103 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -159.42 161.76 35.61 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-O 122.333 1.063 . . . . 0.0 112.581 -153.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.08 -30.98 27.57 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.439 1.096 . . . . 0.0 112.814 -175.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 118.987 0.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.443 ' H1 ' ' CG1' ' A' ' 12' ' ' VAL . . . . . . . . 0 C--O 1.223 -0.301 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -69.99 151.58 45.41 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.84 0.856 . . . . 0.0 111.91 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.53 -44.76 69.45 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 125.753 1.621 . . . . 0.0 113.407 -171.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.65 -16.3 37.49 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -105.17 -11.73 16.43 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.374 0.988 . . . . 0.0 113.055 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -71.51 18.72 0.07 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.345 0.975 . . . . 0.0 112.477 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -68.49 170.49 8.98 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.567 1.947 . . . . 0.0 111.598 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.62 -14.01 17.83 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.516 1.526 . . . . 0.0 114.227 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 m -69.96 -8.32 47.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -166.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.67 -117.66 0.98 Allowed Glycine 0 C--N 1.343 0.958 0 CA-C-N 120.38 1.445 . . . . 0.0 109.744 -173.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.54 147.21 8.78 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 128.256 2.623 . . . . 0.0 110.386 -5.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -126.43 101.55 6.74 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 141.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' CG1' ' H1 ' ' A' ' 0' ' ' ACE . 60.2 t -62.61 -25.97 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 124.78 1.232 . . . . 0.0 112.038 -174.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -65.16 -12.75 54.45 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -166.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -114.79 12.65 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.499 1.045 . . . . 0.0 112.943 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -135.11 -68.6 0.52 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 120.299 1.409 . . . . 0.0 112.403 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -117.66 155.99 28.95 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 118.54 0.609 . . . . 0.0 111.455 -168.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.605 -0.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -68.05 146.38 53.55 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.819 0.848 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.25 29.61 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 126.653 1.981 . . . . 0.0 114.215 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.86 -34.24 12.21 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 126.804 2.042 . . . . 0.0 114.438 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -117.44 -8.56 11.0 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.573 1.149 . . . . 0.0 112.759 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.429 ' HE ' ' CG1' ' B' ' 12' ' ' VAL . 20.4 tpp85 -80.7 57.5 2.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.678 1.591 . . . . 0.0 108.424 166.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -88.15 158.79 18.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.464 2.305 . . . . 0.0 110.82 -169.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.73 -11.34 59.07 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.463 0.705 . . . . 0.0 112.619 174.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.0 m -73.85 36.51 0.09 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.613 1.965 . . . . 0.0 114.307 -170.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.81 -110.27 0.23 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 105.74 -2.944 . . . . 0.0 105.74 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.54 158.15 9.26 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 121.007 2.403 . . . . 0.0 111.373 1.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -140.7 61.45 1.51 Allowed 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.245 1.418 . . . . 0.0 107.72 166.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.429 ' CG1' ' HE ' ' B' ' 5' ' ' ARG . 94.7 t -54.91 -20.6 6.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 112.612 -173.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.2 -13.75 41.19 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -141.24 1.71 1.63 Allowed 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 156.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -93.44 167.59 11.61 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.654 1.115 . . . . 0.0 110.545 169.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -79.59 13.95 1.84 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.168 0.987 . . . . 0.0 112.977 -171.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 O-C-N 120.298 -1.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.53 160.69 15.52 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.291 1.036 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.23 71.1 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 124.841 1.256 . . . . 0.0 113.141 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.54 -17.6 62.97 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 125.302 1.441 . . . . 0.0 113.292 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' ARG . 23.0 m-85 -102.45 -18.16 15.47 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.941 1.296 . . . . 0.0 112.472 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -72.94 37.31 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.827 1.194 . . . . 0.0 112.06 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 4' ' ' PHE . 4.0 mmp_? -82.61 167.43 18.31 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.319 2.247 . . . . 0.0 110.581 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -77.37 -34.19 55.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.163 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -81.14 10.67 4.99 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -159.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.29 -122.28 3.4 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 105.907 -2.877 . . . . 0.0 105.907 170.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.36 152.5 7.24 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 127.912 2.485 . . . . 0.0 110.614 0.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -139.23 75.46 1.52 Allowed 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 113.638 -1.619 . . . . 0.0 106.818 155.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.14 -34.19 10.42 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 127.37 2.268 . . . . 0.0 111.899 -173.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -60.16 -9.68 3.58 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.868 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -152.71 5.23 0.37 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.848 1.203 . . . . 0.0 113.923 162.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.64 -35.38 20.98 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 120.15 1.341 . . . . 0.0 112.691 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -153.81 -17.7 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.446 1.021 . . . . 0.0 113.157 173.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 120.586 -1.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.27 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -150.88 147.66 27.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.347 1.859 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -34.42 -53.22 0.51 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 128.898 2.879 . . . . 0.0 114.994 -167.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -49.39 -43.76 44.51 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 126.122 1.769 . . . . 0.0 113.268 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' B' ' 6' ' ' ARG . 36.3 p90 -105.01 -12.61 16.09 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.636 1.174 . . . . 0.0 112.385 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -73.56 31.99 0.07 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.649 1.18 . . . . 0.0 112.003 169.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' B' ' 4' ' ' PHE . 4.4 mmp_? -47.91 134.93 12.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.344 2.658 . . . . 0.0 109.309 163.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -57.23 -36.9 71.48 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -166.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.8 m -85.95 136.96 33.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.175 0.99 . . . . 0.0 111.041 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.401 ' HA3' ' CG ' ' B' ' 10' ' ' TYR . . . 164.46 -120.07 0.91 Allowed Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 104.525 -3.43 . . . . 0.0 104.525 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.401 ' CG ' ' HA3' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -169.58 148.78 3.78 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.646 2.778 . . . . 0.0 110.43 -8.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -140.65 60.02 1.54 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.908 2.083 . . . . 0.0 105.698 167.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.43 -40.43 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 128.982 2.913 . . . . 0.0 113.794 -166.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -72.98 -3.0 23.28 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.249 -0.881 . . . . 0.0 113.169 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . 0.268 0.7 OUTLIER -148.31 29.24 0.87 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.686 1.13 . . . . 0.0 112.445 152.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -120.34 -179.19 3.88 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 126.54 1.936 . . . . 0.0 109.73 165.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -163.9 172.37 14.08 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.773 1.229 . . . . 0.0 110.618 -171.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.588 -0.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -90.94 0.63 57.47 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 126.683 1.993 . . . . 0.0 114.779 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -31.69 -48.38 0.14 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 128.889 2.876 . . . . 0.0 116.395 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.9 -20.79 64.14 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 124.628 1.171 . . . . 0.0 113.763 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -102.27 -11.1 18.97 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.494 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -71.44 26.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.097 1.359 . . . . 0.0 112.135 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -81.52 167.2 19.58 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 126.964 2.106 . . . . 0.0 111.925 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.68 -20.51 64.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.657 1.183 . . . . 0.0 112.936 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -56.35 -27.8 57.11 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 127.936 2.494 . . . . 0.0 116.074 -165.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.26 -112.55 2.25 Favored Glycine 0 C--O 1.222 -0.632 0 N-CA-C 106.512 -2.635 . . . . 0.0 106.512 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.23 155.76 8.15 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.057 2.143 . . . . 0.0 110.794 -5.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -140.51 77.34 1.6 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 160.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.26 -28.13 25.29 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 126.25 1.82 . . . . 0.0 112.422 -162.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -68.83 -10.4 56.66 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.613 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -85.34 -30.22 23.86 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.191 1.814 . . . . 0.0 112.653 165.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.88 -30.51 45.0 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.465 0.575 . . . . 0.0 111.713 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -139.84 146.96 40.03 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.156 0.982 . . . . 0.0 110.611 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.428 -0.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -62.89 151.73 38.4 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.734 1.614 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.16 75.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.328 1.451 . . . . 0.0 112.58 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.77 -15.41 29.36 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 126.779 2.032 . . . . 0.0 114.997 174.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -103.56 -23.67 13.47 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.284 169.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 -73.61 48.31 0.26 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 110.566 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.4 161.1 14.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 129.194 2.998 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.85 -23.56 62.35 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.5 m -58.99 -12.25 4.38 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.042 1.737 . . . . 0.0 115.658 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.05 -123.97 2.64 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 105.914 -2.874 . . . . 0.0 105.914 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.71 163.33 29.77 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.842 2.057 . . . . 0.0 110.64 -3.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -142.07 64.17 1.39 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 126.135 1.774 . . . . 0.0 106.739 163.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.6 t -46.64 -34.19 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 C-N-CA 129.133 2.973 . . . . 0.0 114.003 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -66.48 -12.88 59.63 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.087 0.858 . . . . 0.0 113.297 -169.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -151.87 -6.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -94.2 159.39 15.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.719 1.145 . . . . 0.0 110.636 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -133.7 -176.64 4.23 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.827 1.251 . . . . 0.0 112.557 -164.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 O-C-N 120.271 -1.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -159.23 149.7 19.42 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.477 1.111 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.85 78.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.022 0.929 . . . . 0.0 111.472 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.04 -10.09 57.51 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -104.89 -22.83 13.09 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.811 0.845 . . . . 0.0 111.588 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -75.71 44.23 0.28 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.709 1.204 . . . . 0.0 110.446 168.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -86.37 174.87 8.74 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 128.704 2.802 . . . . 0.0 110.371 169.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -67.84 -12.35 60.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 m -60.99 -9.05 3.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.279 2.232 . . . . 0.0 116.046 -166.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.04 -120.02 1.11 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.7 -2.16 . . . . 0.0 107.7 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.78 153.68 7.44 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 121.247 2.524 . . . . 0.0 111.581 5.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -128.0 88.54 2.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 146.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.15 -13.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.966 1.706 . . . . 0.0 112.658 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.82 -18.32 54.9 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 117.706 -1.14 . . . . 0.0 112.455 171.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -90.52 -26.49 19.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 120.469 1.486 . . . . 0.0 112.884 167.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -71.09 -47.67 56.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.213 0.915 . . . . 0.0 110.507 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -161.65 141.51 10.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.47 1.508 . . . . 0.0 109.36 -171.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 121.347 -0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -99.88 154.07 18.64 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.271 1.028 . . . . 0.0 111.896 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -40.8 -58.46 1.66 Allowed 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.527 1.931 . . . . 0.0 114.777 -163.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.44 -37.55 57.14 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.995 1.318 . . . . 0.0 114.199 -170.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -109.35 -11.4 14.86 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.891 1.277 . . . . 0.0 112.99 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -79.05 65.96 4.36 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.131 1.372 . . . . 0.0 107.411 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -99.22 149.75 22.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.132 1.773 . . . . 0.0 111.002 -168.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.3 -12.31 56.8 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.257 1.423 . . . . 0.0 111.506 174.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -57.22 -12.17 2.16 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.828 1.251 . . . . 0.0 114.014 -173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.37 -102.1 2.72 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 106.549 -2.62 . . . . 0.0 106.549 168.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.94 162.54 6.01 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 121.744 2.772 . . . . 0.0 111.098 0.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -148.72 77.95 1.39 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 154.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.04 -18.56 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 127.451 2.3 . . . . 0.0 114.757 -162.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -65.52 -11.87 47.61 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.489 1.041 . . . . 0.0 113.735 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -88.46 -5.71 58.08 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 116.714 -1.613 . . . . 0.0 113.557 173.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -106.59 156.58 18.45 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 121.161 1.801 . . . . 0.0 112.6 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? 77.19 -50.64 0.55 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 129.212 3.005 . . . . 0.0 112.195 -176.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.201 0 O-C-N 120.833 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.223 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -64.03 161.64 15.59 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.185 1.794 . . . . 0.0 112.803 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.91 -50.17 19.25 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.796 2.039 . . . . 0.0 112.769 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -63.17 -11.9 24.03 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.375 1.47 . . . . 0.0 114.895 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -110.57 -17.35 13.44 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 125.46 1.504 . . . . 0.0 111.856 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -76.51 46.58 0.44 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.863 0.865 . . . . 0.0 110.516 164.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -86.88 159.42 19.06 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 127.197 2.199 . . . . 0.0 108.946 170.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.56 -18.6 62.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.076 0.95 . . . . 0.0 112.758 165.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m -79.93 22.95 0.47 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -165.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.77 -124.7 2.08 Favored Glycine 0 C--N 1.341 0.831 0 N-CA-C 108.205 -1.958 . . . . 0.0 108.205 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.17 151.44 4.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.23 2.612 . . . . 0.0 111.097 -1.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -130.76 100.81 5.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 138.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.83 -17.35 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.502 1.921 . . . . 0.0 111.829 -177.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -61.96 -26.65 68.33 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.66 -0.686 . . . . 0.0 111.042 172.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -95.32 -13.3 24.9 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 118.034 -0.984 . . . . 0.0 113.604 171.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -60.43 -37.62 81.49 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.851 1.205 . . . . 0.0 109.882 158.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -84.69 -7.47 59.21 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.623 1.969 . . . . 0.0 112.427 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 119.721 1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.193 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -98.4 125.03 43.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.843 1.257 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.81 -97.16 0.16 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.085 0.954 . . . . 0.0 109.501 -177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -47.33 -46.11 25.14 Favored 'General case' 0 C--O 1.225 -0.237 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -153.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -93.75 -24.3 17.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.49 -0.766 . . . . 0.0 111.984 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.09 60.15 5.34 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 122.521 1.153 . . . . 0.0 108.897 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -84.95 159.84 20.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 128.043 2.537 . . . . 0.0 110.081 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.93 -39.07 72.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.131 1.372 . . . . 0.0 113.057 -174.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -84.94 139.42 31.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.976 0.91 . . . . 0.0 109.931 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.73 -127.65 2.42 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 105.356 -3.098 . . . . 0.0 105.356 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.33 153.29 5.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 129.252 3.021 . . . . 0.0 110.017 -5.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.94 69.12 1.36 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 125.143 1.377 . . . . 0.0 107.738 156.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.3 t -40.19 -40.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.233 0 C-N-CA 129.836 3.255 . . . . 0.0 113.707 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -79.79 4.04 17.64 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -166.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -152.81 -1.24 0.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 150.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.13 140.46 33.79 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 120.341 1.428 . . . . 0.0 109.799 162.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.56 -35.07 78.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.114 1.766 . . . . 0.0 112.123 -176.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 O-C-N 121.01 -1.056 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -160.47 136.51 8.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.823 0.449 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.77 -21.47 62.5 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.438 0.695 . . . . 0.0 112.778 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -138.1 -39.51 0.54 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.942 -143.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -99.92 -24.42 14.65 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 113.594 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 mmm-85 -78.73 63.65 3.54 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.878 0.871 . . . . 0.0 109.097 173.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -98.32 141.86 30.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.732 2.013 . . . . 0.0 110.193 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -70.78 -35.12 72.43 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 119.116 -0.469 . . . . 0.0 111.615 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -72.19 7.32 1.75 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.95 -124.89 5.46 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 105.279 -3.128 . . . . 0.0 105.279 158.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.67 157.34 2.52 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 128.784 2.834 . . . . 0.0 108.837 -1.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -131.55 88.58 2.59 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 146.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.73 -18.6 19.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 125.378 1.471 . . . . 0.0 111.721 -175.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -69.01 -16.0 63.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 117.742 -1.123 . . . . 0.0 113.185 -173.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -90.11 -21.89 22.05 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.328 0.967 . . . . 0.0 112.368 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -86.87 -30.67 21.25 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.137 0.975 . . . . 0.0 111.713 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -162.51 154.09 18.16 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.167 1.387 . . . . 0.0 110.533 175.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 121.976 -0.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -162.45 151.65 15.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.339 1.055 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.9 2.13 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 127.78 2.432 . . . . 0.0 114.438 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -63.72 -20.63 65.89 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -114.15 6.3 16.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.53 1.059 . . . . 0.0 112.355 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -79.0 48.83 0.88 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.124 1.37 . . . . 0.0 109.597 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -109.83 169.14 8.91 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 125.736 1.615 . . . . 0.0 113.09 -158.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -62.39 -20.64 64.65 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.993 1.317 . . . . 0.0 112.576 165.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -67.67 7.64 0.47 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.11 2.164 . . . . 0.0 115.65 -164.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.0 -106.95 0.77 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 107.484 -2.246 . . . . 0.0 107.484 173.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.49 149.35 9.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 120.954 2.377 . . . . 0.0 111.375 -7.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -124.12 121.83 36.22 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 132.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -86.7 -22.8 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.968 1.307 . . . . 0.0 110.414 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -62.38 -29.1 70.23 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -156.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -140.44 31.1 1.91 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.408 1.483 . . . . 0.0 110.362 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.36 160.38 21.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.042 0.937 . . . . 0.0 112.998 -170.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -137.51 172.78 12.45 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 123.466 0.706 . . . . 0.0 109.863 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.134 0 O-C-N 121.5 -0.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.229 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.13 174.25 9.67 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.322 1.849 . . . . 0.0 113.011 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.15 -73.84 0.63 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.701 1.6 . . . . 0.0 111.712 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -55.33 -36.17 65.95 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -158.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -109.14 -10.86 14.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.626 1.17 . . . . 0.0 112.4 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HD2' HG11 ' A' ' 12' ' ' VAL . 46.0 mmm-85 -74.17 62.1 0.9 Allowed 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.769 1.628 . . . . 0.0 108.343 167.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -103.89 149.75 24.8 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.481 1.512 . . . . 0.0 110.305 -168.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.47 -22.74 18.69 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.968 -177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m -71.49 3.6 3.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.5 -107.18 2.19 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 104.956 -3.258 . . . . 0.0 104.956 160.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -172.85 144.98 1.38 Allowed 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 128.056 2.542 . . . . 0.0 108.837 -6.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -123.96 93.11 3.83 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 145.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 5' ' ' ARG . 24.0 t -64.57 -29.83 48.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 C-N-CA 123.908 0.883 . . . . 0.0 110.6 -174.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -67.2 -32.23 73.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -72.69 -33.03 66.22 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.156 0.889 . . . . 0.0 111.934 170.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -84.13 -38.01 21.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -127.1 6.58 6.51 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.64 1.576 . . . . 0.0 111.343 -170.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.034 0 O-C-N 120.891 -1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -105.32 -27.89 11.23 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.054 1.342 . . . . 0.0 112.865 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.59 54.24 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -170.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.16 -25.43 61.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.933 2.093 . . . . 0.0 113.788 174.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -122.54 -21.84 5.6 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.508 1.123 . . . . 0.0 112.693 172.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.23 49.69 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.98 1.712 . . . . 0.0 107.812 160.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -53.09 172.97 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 130.786 3.634 . . . . 0.0 111.687 172.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.32 -37.35 10.08 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.3 0.5 . . . . 0.0 110.807 170.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m -117.98 147.02 43.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.18 1.792 . . . . 0.0 109.783 178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.42 -121.6 0.62 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 107.288 -2.325 . . . . 0.0 107.288 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.419 ' CZ ' HG22 ' B' ' 12' ' ' VAL . 0.1 OUTLIER -176.78 158.75 1.7 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 120.764 2.282 . . . . 0.0 110.515 9.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -138.6 122.35 17.58 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 118.133 -1.427 . . . . 0.0 107.172 117.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.419 HG22 ' CZ ' ' B' ' 10' ' ' TYR . 84.2 t -57.01 -36.82 52.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 C-N-CA 124.876 1.27 . . . . 0.0 110.781 -173.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -69.91 -18.82 63.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.263 -0.875 . . . . 0.0 112.988 -169.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -103.56 -2.92 25.97 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.454 -1.26 . . . . 0.0 113.713 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -94.72 155.75 16.7 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.754 1.161 . . . . 0.0 112.006 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -149.37 172.74 14.42 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.985 1.314 . . . . 0.0 111.329 -173.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 O-C-N 121.569 -0.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -161.32 148.78 15.05 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.341 1.456 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.26 62.56 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.34 1.456 . . . . 0.0 113.921 -174.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.34 -33.48 74.79 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.224 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -97.53 -17.51 19.54 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 116.973 -1.489 . . . . 0.0 114.026 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -75.2 47.19 0.35 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.835 1.654 . . . . 0.0 110.157 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -78.57 150.79 32.7 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 126.782 2.033 . . . . 0.0 110.021 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.25 -26.51 68.42 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.519 1.128 . . . . 0.0 112.691 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 m -75.11 -1.91 25.17 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -165.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.33 -124.36 2.99 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 107.545 -2.222 . . . . 0.0 107.545 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.68 151.26 9.1 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.977 2.511 . . . . 0.0 110.36 -1.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -130.25 82.84 2.08 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 157.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.29 -6.99 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.848 2.059 . . . . 0.0 113.35 -170.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -60.93 -19.76 61.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.462 1.028 . . . . 0.0 111.622 167.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -84.11 0.83 46.88 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -127.21 -43.08 1.66 Allowed 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 112.518 -173.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -149.89 158.23 43.96 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.607 1.563 . . . . 0.0 109.848 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 O-C-N 121.788 -0.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -146.59 138.47 24.71 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.06 -41.82 2.7 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 127.982 2.513 . . . . 0.0 114.177 -170.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.77 -35.38 61.24 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 117.404 -1.284 . . . . 0.0 113.863 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.4 ' C ' ' H ' ' B' ' 6' ' ' ARG . 37.0 p90 -112.96 -19.88 11.76 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.652 1.115 . . . . 0.0 112.198 172.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.89 50.25 0.99 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.9 1.68 . . . . 0.0 108.824 164.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' B' ' 4' ' ' PHE . 5.9 mmp_? -61.49 155.4 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 129.869 3.268 . . . . 0.0 110.374 172.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.12 -19.78 12.92 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.878 1.271 . . . . 0.0 113.265 -169.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -80.21 82.17 6.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.124 0.875 . . . . 0.0 110.19 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.12 -109.54 0.28 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.43 161.9 19.07 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 128.795 2.838 . . . . 0.0 110.044 -9.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.2 86.09 1.35 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 155.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 t -59.91 -26.7 36.49 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 126.427 1.891 . . . . 0.0 113.809 -162.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -60.82 -20.94 62.6 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.945 1.248 . . . . 0.0 113.129 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.37 1.46 51.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.885 1.274 . . . . 0.0 112.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -149.77 175.54 11.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.174 1.389 . . . . 0.0 110.66 -158.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -81.34 26.52 0.45 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.609 0.764 . . . . 0.0 112.203 173.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.072 0 O-C-N 120.833 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -103.05 151.68 22.24 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.928 1.291 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -36.53 -59.69 0.64 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 127.253 2.221 . . . . 0.0 114.932 -159.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.52 -37.12 16.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.922 1.689 . . . . 0.0 115.017 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -112.8 -12.6 13.31 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.444 1.098 . . . . 0.0 112.93 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.08 60.89 3.75 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.107 1.763 . . . . 0.0 109.358 168.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -85.79 151.39 23.86 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.589 1.956 . . . . 0.0 110.561 -171.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -87.56 -9.04 55.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.574 1.949 . . . . 0.0 112.685 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -65.59 -11.5 44.78 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.17 -108.04 1.59 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.39 162.53 10.34 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 127.605 2.362 . . . . 0.0 109.438 6.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -139.1 83.84 1.97 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 151.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.55 -20.59 19.01 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 126.017 1.727 . . . . 0.0 112.364 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -62.08 -24.42 67.1 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 120.433 1.47 . . . . 0.0 112.476 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.5 -27.1 21.68 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.648 170.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -61.63 -48.7 79.69 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.674 1.124 . . . . 0.0 108.839 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -154.84 135.32 13.38 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.888 1.275 . . . . 0.0 109.445 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.678 -0.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.294 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.401 ' H ' ' HG2' ' B' ' 5' ' ' ARG . 9.1 t70 -155.33 142.6 19.4 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.819 0.847 . . . . 0.0 109.739 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.28 -22.3 4.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.216 1.806 . . . . 0.0 115.395 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.88 -41.91 98.43 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 119.124 0.874 . . . . 0.0 111.318 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.23 -8.28 7.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.475 1.11 . . . . 0.0 113.5 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.43 ' HD2' HG11 ' B' ' 12' ' ' VAL . 44.5 mmm-85 -80.27 77.8 6.99 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.271 1.428 . . . . 0.0 108.175 167.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -122.92 166.02 15.73 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.731 2.012 . . . . 0.0 111.634 -160.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -68.42 -18.08 64.36 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.908 1.283 . . . . 0.0 112.034 164.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 69.9 m -63.12 -3.45 1.77 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 127.404 2.281 . . . . 0.0 116.575 -161.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.18 -99.31 0.86 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 106.497 -2.641 . . . . 0.0 106.497 170.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.79 159.53 18.65 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 120.164 1.982 . . . . 0.0 111.857 -3.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -151.02 75.46 1.2 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 147.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.43 HG11 ' HD2' ' B' ' 5' ' ' ARG . 73.7 t -39.68 -44.27 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 128.272 2.629 . . . . 0.0 114.226 -160.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -59.66 -22.56 62.09 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.762 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -153.08 -0.25 0.25 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -125.57 156.82 38.51 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 120.424 1.465 . . . . 0.0 111.728 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -81.59 157.96 24.55 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 127.679 2.392 . . . . 0.0 112.078 -168.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 121.097 -1.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.253 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -174.77 156.77 2.36 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 124.972 1.309 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.28 83.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.316 0.962 . . . . 0.0 112.336 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.29 -9.29 46.59 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.434 1.494 . . . . 0.0 114.714 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' ARG . 19.6 m-85 -111.59 -21.58 11.66 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 124.152 0.981 . . . . 0.0 112.575 170.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 46.06 0.36 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.996 1.718 . . . . 0.0 109.267 166.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' PHE . 5.4 mmp_? -70.68 179.95 2.4 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 128.055 2.542 . . . . 0.0 110.048 172.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.19 -46.68 82.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.7 m -147.79 152.01 36.98 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 124.531 1.132 . . . . 0.0 111.983 -165.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.02 -120.52 0.92 Allowed Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 106.705 -2.558 . . . . 0.0 106.705 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.31 156.69 7.05 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.98 2.912 . . . . 0.0 109.152 -8.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -134.52 91.95 2.85 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 143.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.96 -18.76 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.855 2.062 . . . . 0.0 113.599 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -57.56 -38.71 75.25 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.009 0.924 . . . . 0.0 110.947 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.583 ' CE1' HE21 ' B' ' 15' ' ' GLN . 63.5 m-70 -83.99 -16.6 43.42 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.552 174.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.95 -41.23 68.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 120.138 1.335 . . . . 0.0 111.617 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -81.84 -24.63 35.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.633 0.373 . . . . 0.0 110.851 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.032 0 O-C-N 121.048 -1.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -72.8 -13.35 61.28 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -38.59 -38.72 0.42 Allowed 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 128.556 2.742 . . . . 0.0 115.894 -171.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -54.14 -34.06 59.45 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 124.886 1.274 . . . . 0.0 113.945 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -113.99 -22.59 10.0 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.317 0.962 . . . . 0.0 111.252 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -77.85 62.23 2.65 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 122.665 1.221 . . . . 0.0 108.593 161.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -74.12 132.32 42.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.862 2.465 . . . . 0.0 109.778 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -66.53 -21.54 66.16 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.998 169.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.4 m -62.3 -11.81 17.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.45 1.5 . . . . 0.0 114.254 -177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.43 -115.55 3.88 Favored Glycine 0 C--N 1.341 0.808 0 N-CA-C 106.211 -2.756 . . . . 0.0 106.211 166.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.82 161.68 11.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 127.664 2.385 . . . . 0.0 110.806 -4.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -146.42 75.61 1.41 Allowed 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 158.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.5 t -49.24 -30.21 4.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 127.731 2.412 . . . . 0.0 113.096 -168.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.93 -20.47 65.24 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -162.05 -11.29 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 173.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.583 HE21 ' CE1' ' A' ' 14' ' ' HIS . 18.6 mm-40 -109.78 149.53 29.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 120.438 1.472 . . . . 0.0 110.947 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -74.12 -12.12 60.51 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.469 1.108 . . . . 0.0 112.866 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 119.806 1.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.371 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -129.08 154.01 47.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.311 1.044 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.0 -52.92 8.33 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 126.646 1.979 . . . . 0.0 114.503 -161.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.73 -13.68 16.48 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 p90 -130.04 -3.33 4.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.68 1.192 . . . . 0.0 112.258 171.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -79.67 51.0 1.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.765 0.826 . . . . 0.0 108.831 155.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.55 161.2 14.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.784 2.034 . . . . 0.0 109.87 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -75.06 -21.37 59.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -69.21 0.1 5.31 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -167.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.29 -132.18 4.73 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 108.071 -2.012 . . . . 0.0 108.071 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.64 160.9 17.93 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.231 2.016 . . . . 0.0 111.816 5.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -138.42 100.72 4.18 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 136.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.82 -26.18 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 125.686 1.594 . . . . 0.0 110.997 -174.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -59.43 -40.25 86.12 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.648 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -81.21 -37.84 27.98 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 120.023 1.283 . . . . 0.0 112.179 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.21 -35.26 73.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HE3' ' CG ' ' A' ' 4' ' ' PHE . 71.6 mmtt -99.03 5.72 46.97 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.898 0.479 . . . . 0.0 111.366 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 CA-C-N 118.926 0.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -65.66 147.65 53.05 Favored 'General case' 0 CA--C 1.52 -0.188 0 O-C-N 123.956 0.785 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.51 84.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.919 0.887 . . . . 0.0 111.523 -172.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -57.26 -18.3 15.72 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.368 1.867 . . . . 0.0 114.506 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -113.71 -13.76 12.65 Favored 'General case' 0 C--O 1.227 -0.103 0 C-N-CA 124.328 1.051 . . . . 0.0 113.692 174.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.428 ' HD2' HG21 ' B' ' 12' ' ' VAL . 8.9 mmm180 -79.19 55.84 1.92 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.515 1.126 . . . . 0.0 108.887 167.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -91.59 -11.17 37.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.45 1.5 . . . . 0.0 113.697 -171.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -173.17 164.78 4.85 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.51 0.724 . . . . 0.0 110.743 -161.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 68.1 m -57.72 130.04 44.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.657 0.383 . . . . 0.0 109.975 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.06 -126.53 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.83 162.21 39.71 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 128.185 2.594 . . . . 0.0 109.073 -7.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -143.82 71.45 1.32 Allowed 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 159.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.428 HG21 ' HD2' ' B' ' 5' ' ' ARG . 2.5 t -52.22 -19.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.269 0 C-N-CA 127.277 2.231 . . . . 0.0 114.206 -166.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -59.78 -19.49 50.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.681 1.128 . . . . 0.0 113.097 173.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.9 -29.49 17.46 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 120.77 1.623 . . . . 0.0 112.923 171.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -68.88 -43.22 75.79 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.479 1.112 . . . . 0.0 110.703 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -52.2 138.53 25.84 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.428 2.291 . . . . 0.0 113.621 -168.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.125 0 O-C-N 121.264 -0.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -36.89 64.08 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.514 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.43 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 123.795 0.838 . . . . 0.0 113.161 -158.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.52 -21.82 53.44 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 173.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -100.33 -16.71 17.57 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 125.266 1.427 . . . . 0.0 112.952 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -70.94 21.92 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.618 1.167 . . . . 0.0 112.556 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -72.6 159.75 33.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.519 1.927 . . . . 0.0 109.946 173.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -70.09 -24.83 63.28 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.248 1.419 . . . . 0.0 113.136 171.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.8 m -78.46 62.1 3.0 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.317 1.447 . . . . 0.0 112.924 -169.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.38 -123.16 0.69 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 168.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -168.21 149.56 5.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 120.759 2.28 . . . . 0.0 111.387 1.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -131.78 88.66 2.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.618 -1.174 . . . . 0.0 107.883 149.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.0 t -57.59 -20.47 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 127.106 2.163 . . . . 0.0 113.523 -170.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.99 -39.23 88.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.951 0.796 . . . . 0.0 110.737 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -74.09 -26.18 60.22 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 118.276 -0.868 . . . . 0.0 112.11 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -68.89 -43.22 75.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 118.925 0.784 . . . . 0.0 111.134 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -65.47 147.25 53.74 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.549 1.54 . . . . 0.0 112.474 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.14 0 O-C-N 121.341 -0.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -62.96 -6.07 3.51 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.264 1.425 . . . . 0.0 114.84 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -39.88 -42.5 1.33 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.654 1.981 . . . . 0.0 111.545 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.1 -23.39 54.66 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 125.363 1.465 . . . . 0.0 113.851 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -102.25 -13.11 17.52 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.695 1.134 . . . . 0.0 112.651 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -76.3 27.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.734 0.814 . . . . 0.0 111.957 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.83 155.99 38.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.308 1.843 . . . . 0.0 110.646 174.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.23 -13.78 60.87 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.394 0.678 . . . . 0.0 112.665 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -64.55 -14.12 55.99 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -163.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.23 -127.16 2.99 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 107.401 -2.28 . . . . 0.0 107.401 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -171.9 155.36 3.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.988 2.394 . . . . 0.0 111.279 13.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -133.53 93.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 106.025 -1.842 . . . . 0.0 106.025 150.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.13 -36.3 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.992 1.317 . . . . 0.0 111.727 -170.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -69.4 -20.09 63.81 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -164.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -145.86 53.13 1.15 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 164.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -55.25 163.12 1.22 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.659 1.583 . . . . 0.0 112.285 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -80.56 167.48 20.05 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.761 0.825 . . . . 0.0 111.811 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 122.151 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -176.9 169.38 2.42 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.097 1.759 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.09 -47.55 45.1 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 126.331 1.852 . . . . 0.0 113.209 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.86 -4.8 13.86 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -111.47 -15.75 13.46 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.674 1.19 . . . . 0.0 112.34 170.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -74.05 35.82 0.09 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.507 1.049 . . . . 0.0 111.203 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -82.07 165.55 20.51 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.653 1.981 . . . . 0.0 111.835 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -77.26 -29.2 53.84 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.444 0.698 . . . . 0.0 112.725 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 m -86.51 64.01 8.3 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.849 0.749 . . . . 0.0 111.864 -173.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.17 -130.67 1.2 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 172.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.48 144.21 6.27 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.644 2.377 . . . . 0.0 110.135 -1.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -127.52 78.82 1.85 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 156.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -49.09 -39.04 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 C-N-CA 128.352 2.661 . . . . 0.0 114.958 -159.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -66.0 -25.55 67.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.857 -170.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -73.02 -10.7 60.08 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-O 117.935 -1.031 . . . . 0.0 113.677 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -30.02 69.96 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 119.885 1.22 . . . . 0.0 112.084 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -61.34 -25.79 67.38 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 124.746 1.218 . . . . 0.0 112.988 171.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 119.719 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.402 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.96 169.3 9.06 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.761 0.824 . . . . 0.0 112.579 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.79 -44.93 66.94 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.763 1.225 . . . . 0.0 113.913 -173.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -55.87 -35.33 66.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -167.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -106.95 -4.58 18.94 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 118.137 -0.935 . . . . 0.0 113.304 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 tpp85 -71.06 79.55 0.67 Allowed 'General case' 0 C--N 1.347 0.457 0 C-N-CA 125.044 1.338 . . . . 0.0 108.475 161.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -122.57 157.95 30.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.033 1.733 . . . . 0.0 110.956 -168.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.63 -31.49 28.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.585 0.754 . . . . 0.0 112.854 -176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.6 m -80.44 76.36 7.27 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.732 0.813 . . . . 0.0 112.133 -166.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.03 -103.62 0.17 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 107.032 -2.427 . . . . 0.0 107.032 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.8 156.54 6.38 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.022 2.529 . . . . 0.0 110.547 -10.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -138.49 96.39 3.16 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.639 135.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.8 t -60.54 -32.07 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.633 0.773 . . . . 0.0 111.862 -169.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -62.77 -14.77 48.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -165.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.49 -10.38 27.53 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -96.8 165.59 12.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 121.485 1.948 . . . . 0.0 112.767 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -79.91 157.43 26.91 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 126.319 1.848 . . . . 0.0 110.808 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 121.619 -0.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_