data_1nmi_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 1nmi _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -59.81 151.75 24.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.975 0.797 . . . . 10.0 111.012 173.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -101.86 126.42 48.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.243 -2.132 . . . . 10.0 105.243 161.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -96.63 165.7 12.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 172.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -160.97 146.94 14.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -164.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 41.03 65.56 1.05 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 125.972 1.749 . . . . 10.0 112.928 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -104.78 -62.6 1.31 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.721 1.209 . . . . 10.0 108.23 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.63 -26.9 41.02 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.139 0.976 . . . . 10.0 109.594 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER 45.05 45.43 8.93 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.282 1.433 . . . . 10.0 110.526 -167.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -105.2 -14.87 15.23 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.896 2.078 . . . . 10.0 110.964 169.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.55 -46.72 2.14 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.886 1.708 . . . . 10.0 114.405 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.21 -16.44 62.51 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.555 -0.968 . . . . 10.0 112.608 -175.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.32 -31.75 10.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.857 1.663 . . . . 10.0 109.869 176.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mt -52.97 -53.34 51.3 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 166.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -49.05 -51.83 29.01 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.12 0.568 . . . . 10.0 111.544 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -57.69 -16.96 12.45 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.485 0.92 . . . . 10.0 113.485 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -120.15 8.37 10.93 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.187 0.995 . . . . 10.0 111.54 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.47 -60.76 0.83 Allowed 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.905 1.282 . . . . 10.0 109.581 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.4 m -87.34 -37.25 17.28 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.41 0.684 . . . . 10.0 109.398 -171.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.3 -24.93 46.49 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.917 0.887 . . . . 10.0 112.26 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -46.46 -40.12 11.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.156 0.982 . . . . 10.0 111.491 168.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.0 m -130.1 -27.82 2.22 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.674 1.19 . . . . 10.0 113.848 -164.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -134.37 172.07 13.4 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.325 1.45 . . . . 10.0 110.931 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.1 p -131.67 159.39 38.47 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.619 1.168 . . . . 10.0 109.623 167.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.14 4.0 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.976 1.311 . . . . 10.0 110.868 169.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.74 158.45 18.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -65.39 96.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.257 0.623 . . . . 10.0 111.829 -171.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.66 38.57 96.65 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 109.461 -1.455 . . . . 10.0 109.461 -171.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.13 168.09 11.13 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 123.129 0.395 . . . . 10.0 112.114 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.07 137.26 51.67 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.34 2.027 . . . . 10.0 111.154 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -75.96 65.39 2.02 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.551 1.54 . . . . 10.0 109.105 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -45.27 -65.9 0.47 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.464 1.506 . . . . 10.0 112.579 -166.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.8 t -121.52 -51.4 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 124.627 1.171 . . . . 10.0 108.787 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.88 -175.44 32.09 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 108.352 -1.899 . . . . 10.0 108.352 164.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.19 175.35 11.37 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.139 1.893 . . . . 10.0 111.112 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -76.79 151.84 35.79 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.623 -1.171 . . . . 10.0 110.291 166.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mp -111.56 8.81 21.11 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.638 1.575 . . . . 10.0 111.692 -170.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -53.62 110.84 0.62 Allowed 'General case' 0 C--O 1.235 0.322 0 O-C-N 120.767 -1.208 . . . . 10.0 111.854 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.44 26.69 74.3 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.309 0.957 . . . . 10.0 111.036 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 tt -59.42 -35.6 59.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 117.599 0.7 . . . . 10.0 111.898 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -59.29 -55.5 34.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.877 0.846 . . . . 10.0 109.904 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.04 47.65 3.61 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -142.16 -102.99 0.14 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.442 -1.688 . . . . 10.0 106.442 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -179.4 -177.59 0.45 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 129.185 2.994 . . . . 10.0 104.841 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -66.1 82.18 0.08 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 122.356 1.074 . . . . 10.0 111.325 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.11 60.33 2.91 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.14 -0.937 . . . . 10.0 111.352 166.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -92.84 46.17 1.22 Allowed 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.25 -1.389 . . . . 10.0 107.25 150.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.48 137.86 52.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.592 -1.262 . . . . 10.0 107.592 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -58.04 163.03 3.0 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 163.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.4 -72.77 0.1 OUTLIER Glycine 0 CA--C 1.536 1.353 0 N-CA-C 116.045 1.178 . . . . 10.0 116.045 167.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -74.42 80.82 1.9 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.771 0.828 . . . . 10.0 111.575 -163.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -71.95 69.29 0.71 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.165 0.986 . . . . 10.0 111.853 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.97 173.82 4.23 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.325 1.45 . . . . 10.0 112.769 169.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -83.12 -52.4 6.66 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.539 0.735 . . . . 10.0 110.981 -173.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.99 45.72 2.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.951 2.101 . . . . 10.0 114.809 161.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.88 -52.53 49.39 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.541 -0.725 . . . . 10.0 110.863 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -59.95 -47.28 86.45 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 123.826 0.851 . . . . 10.0 110.076 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mm -50.71 -58.52 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 125.714 1.606 . . . . 10.0 108.17 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -53.76 -77.7 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 117.679 -1.153 . . . . 10.0 111.003 -172.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.7 tptt 26.71 46.01 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.204 1.802 . . . . 10.0 113.571 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 15.23 68.63 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.981 2.112 . . . . 10.0 114.989 -156.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.19 154.14 6.66 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 C-N-CA 123.962 0.905 . . . . 10.0 110.703 -174.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.75 160.4 14.62 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.655 0.782 . . . . 10.0 109.189 169.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -102.35 121.73 42.86 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.519 -1.289 . . . . 10.0 107.519 174.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.97 162.45 17.35 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 105.652 -1.981 . . . . 10.0 105.652 174.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -55.68 -42.08 74.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.951 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -59.12 -62.06 2.17 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.466 0.706 . . . . 10.0 111.415 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -53.45 -47.19 69.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 122.075 0.94 . . . . 10.0 109.762 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.5 ttm -59.5 -50.68 72.97 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.232 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -51.3 -43.37 61.64 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 118.581 0.628 . . . . 10.0 112.133 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -58.73 -53.07 62.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.343 0.519 . . . . 10.0 109.938 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -26.58 58.16 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.221 0.822 . . . . 10.0 113.221 176.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mp -92.23 2.43 56.62 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.666 1.986 . . . . 10.0 112.878 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.414 ' CG2' ' NH1' ' A' ' 91' ' ' ARG . 3.2 m -104.8 -65.0 1.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 119.581 1.082 . . . . 10.0 110.601 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.441 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . 4.5 t30 -71.63 133.08 84.89 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 118.917 -1.113 . . . . 10.0 111.005 -169.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.67 105.97 0.84 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.911 2.407 . . . . 10.0 110.529 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 tttt 51.92 -137.47 1.19 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.441 1.096 . . . . 10.0 110.317 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? 70.57 -33.36 0.26 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.441 1.497 . . . . 10.0 113.032 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 70.3 m-85 -71.23 71.28 0.6 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 122.725 1.25 . . . . 10.0 112.795 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 20.12 56.92 0.21 Allowed Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 130.852 3.661 . . . . 10.0 112.923 175.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -67.36 -51.88 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 CA-C-N 120.014 1.041 . . . . 10.0 112.208 -162.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.76 -73.21 0.26 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.65 1.119 . . . . 10.0 110.504 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.5 m -21.77 -66.22 0.03 OUTLIER 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 130.259 3.424 . . . . 10.0 113.801 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.78 -71.4 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 124.811 1.245 . . . . 10.0 111.916 169.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.0 mtt -146.26 131.48 18.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.141 0.577 . . . . 10.0 110.357 -154.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -137.0 155.71 49.36 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.522 -2.029 . . . . 10.0 105.522 167.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -128.8 -34.55 1.95 Allowed 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.911 0.708 . . . . 10.0 112.911 -162.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.56 -143.8 21.89 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.852 -0.499 . . . . 10.0 111.852 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.44 116.78 2.09 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.615 1.102 . . . . 10.0 113.896 -170.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.423 ' CD1' ' HA ' ' A' ' 91' ' ' ARG . 0.8 OUTLIER -40.66 -63.64 0.62 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.401 1.88 . . . . 10.0 111.702 175.099 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 tpmp? -162.0 -49.56 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.724 0 O-C-N 125.238 1.586 . . . . 10.0 109.384 162.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -113.96 172.53 6.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.704 1.202 . . . . 10.0 112.432 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.46 -51.53 23.33 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.853 1.661 . . . . 10.0 110.103 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -28.84 70.24 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.042 -1.036 . . . . 10.0 111.131 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.92 -51.11 70.66 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.423 ' HA ' ' CD1' ' A' ' 85' ' ' LEU 0.268 12.5 ptt180 -55.69 -47.43 76.79 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.348 -0.541 . . . . 10.0 111.251 178.335 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -53.37 -52.12 60.29 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -54.64 35.26 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.873 0.869 . . . . 10.0 112.055 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -61.14 2.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.315 1.446 . . . . 10.0 108.837 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.71 -48.42 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.9 m -60.15 -46.27 90.26 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 119.229 -0.988 . . . . 10.0 112.292 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -41.56 95.02 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 121.743 -0.598 . . . . 10.0 109.771 -175.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -29.2 60.74 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 123.734 0.814 . . . . 10.0 110.751 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -53.88 -69.57 0.12 Allowed 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 162.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HZ1' ' C ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -59.76 -34.77 73.41 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 111.534 0.198 . . . . 10.0 111.534 -169.495 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.79 -48.81 30.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.261 1.025 . . . . 10.0 111.736 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.8 p -131.87 -1.05 3.78 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 116.144 1.905 . . . . 10.0 116.144 -171.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' C ' ' HZ1' ' A' ' 100' ' ' LYS . 44.5 tt0 . . . . . 0 C--O 1.251 1.166 0 N-CA-C 103.438 -2.801 . . . . 10.0 103.438 163.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' IMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1018 ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -59.81 151.75 24.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.975 0.797 . . . . 10.0 111.012 173.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -101.86 126.42 48.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.243 -2.132 . . . . 10.0 105.243 161.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -96.63 165.7 12.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 172.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -160.97 146.94 14.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -164.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 41.03 65.56 1.05 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 125.972 1.749 . . . . 10.0 112.928 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -104.78 -62.6 1.31 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.721 1.209 . . . . 10.0 108.23 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.63 -26.9 41.02 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.139 0.976 . . . . 10.0 109.594 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER 45.05 45.43 8.93 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.282 1.433 . . . . 10.0 110.526 -167.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -105.2 -14.87 15.23 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.896 2.078 . . . . 10.0 110.964 169.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.55 -46.72 2.14 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.886 1.708 . . . . 10.0 114.405 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.21 -16.44 62.51 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.555 -0.968 . . . . 10.0 112.608 -175.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.32 -31.75 10.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.857 1.663 . . . . 10.0 109.869 176.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mt -52.97 -53.34 51.3 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 166.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -49.05 -51.83 29.01 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.12 0.568 . . . . 10.0 111.544 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 34.3 mtmm -57.69 -16.96 12.45 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.485 0.92 . . . . 10.0 113.485 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -120.15 8.37 10.93 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.187 0.995 . . . . 10.0 111.54 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' HG2' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -133.47 -60.76 0.83 Allowed 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.905 1.282 . . . . 10.0 109.581 -177.297 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.4 m -87.34 -37.25 17.28 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.41 0.684 . . . . 10.0 109.398 -171.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 13.4 tp -56.3 -24.93 46.49 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.917 0.887 . . . . 10.0 112.26 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -46.46 -40.12 11.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.156 0.982 . . . . 10.0 111.491 168.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.0 m -130.1 -27.82 2.22 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.674 1.19 . . . . 10.0 113.848 -164.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -134.37 172.07 13.4 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.325 1.45 . . . . 10.0 110.931 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.1 p -131.67 159.39 38.47 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.619 1.168 . . . . 10.0 109.623 167.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.14 4.0 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.976 1.311 . . . . 10.0 110.868 169.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.74 158.45 18.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -65.39 96.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.257 0.623 . . . . 10.0 111.829 -171.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.66 38.57 96.65 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 109.461 -1.455 . . . . 10.0 109.461 -171.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.13 168.09 11.13 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 123.129 0.395 . . . . 10.0 112.114 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.07 137.26 51.67 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.34 2.027 . . . . 10.0 111.154 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -75.96 65.39 2.02 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.551 1.54 . . . . 10.0 109.105 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -45.27 -65.9 0.47 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.464 1.506 . . . . 10.0 112.579 -166.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.8 t -121.52 -51.4 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 124.627 1.171 . . . . 10.0 108.787 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.88 -175.44 32.09 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 108.352 -1.899 . . . . 10.0 108.352 164.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.19 175.35 11.37 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.139 1.893 . . . . 10.0 111.112 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -76.79 151.84 35.79 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.623 -1.171 . . . . 10.0 110.291 166.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mp -111.56 8.81 21.11 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.638 1.575 . . . . 10.0 111.692 -170.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -53.62 110.84 0.62 Allowed 'General case' 0 C--O 1.235 0.322 0 O-C-N 120.767 -1.208 . . . . 10.0 111.854 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.44 26.69 74.3 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.309 0.957 . . . . 10.0 111.036 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 tt -59.42 -35.6 59.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 117.599 0.7 . . . . 10.0 111.898 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -59.29 -55.5 34.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.877 0.846 . . . . 10.0 109.904 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.04 47.65 3.61 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -142.16 -102.99 0.14 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.442 -1.688 . . . . 10.0 106.442 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -179.4 -177.59 0.45 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 129.185 2.994 . . . . 10.0 104.841 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -66.1 82.18 0.08 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 122.356 1.074 . . . . 10.0 111.325 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.11 60.33 2.91 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.14 -0.937 . . . . 10.0 111.352 166.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -92.84 46.17 1.22 Allowed 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.25 -1.389 . . . . 10.0 107.25 150.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.48 137.86 52.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.592 -1.262 . . . . 10.0 107.592 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 1.6 pm0 -58.04 163.03 3.0 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 163.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.4 -72.77 0.1 OUTLIER Glycine 0 CA--C 1.536 1.353 0 N-CA-C 116.045 1.178 . . . . 10.0 116.045 167.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -74.42 80.82 1.9 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.771 0.828 . . . . 10.0 111.575 -163.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -71.95 69.29 0.71 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.165 0.986 . . . . 10.0 111.853 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.97 173.82 4.23 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.325 1.45 . . . . 10.0 112.769 169.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -83.12 -52.4 6.66 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.539 0.735 . . . . 10.0 110.981 -173.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.99 45.72 2.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.951 2.101 . . . . 10.0 114.809 161.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.88 -52.53 49.39 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.541 -0.725 . . . . 10.0 110.863 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -59.95 -47.28 86.45 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 123.826 0.851 . . . . 10.0 110.076 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mm -50.71 -58.52 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 125.714 1.606 . . . . 10.0 108.17 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -53.76 -77.7 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 117.679 -1.153 . . . . 10.0 111.003 -172.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.7 tptt 26.71 46.01 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.204 1.802 . . . . 10.0 113.571 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 15.23 68.63 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.981 2.112 . . . . 10.0 114.989 -156.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.19 154.14 6.66 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 C-N-CA 123.962 0.905 . . . . 10.0 110.703 -174.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.75 160.4 14.62 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.655 0.782 . . . . 10.0 109.189 169.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -102.35 121.73 42.86 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.519 -1.289 . . . . 10.0 107.519 174.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.97 162.45 17.35 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 105.652 -1.981 . . . . 10.0 105.652 174.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HB2' ' CG2' ' A' ' 95' ' ' ILE . 1.3 pm0 -55.68 -42.08 74.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.951 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -59.12 -62.06 2.17 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.466 0.706 . . . . 10.0 111.415 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -53.45 -47.19 69.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 122.075 0.94 . . . . 10.0 109.762 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.5 ttm -59.5 -50.68 72.97 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.232 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -51.3 -43.37 61.64 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 118.581 0.628 . . . . 10.0 112.133 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -58.73 -53.07 62.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.343 0.519 . . . . 10.0 109.938 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -56.8 -26.58 58.16 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.221 0.822 . . . . 10.0 113.221 176.392 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mp -92.23 2.43 56.62 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.666 1.986 . . . . 10.0 112.878 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.627 HG23 ' NH1' ' A' ' 91' ' ' ARG . 3.2 m -104.8 -65.0 1.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 119.581 1.082 . . . . 10.0 110.601 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.477 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . 4.5 t30 -71.63 133.08 84.89 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 118.917 -1.113 . . . . 10.0 111.005 -169.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.67 105.97 0.84 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.911 2.407 . . . . 10.0 110.529 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 tttt 51.92 -137.47 1.19 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.441 1.096 . . . . 10.0 110.317 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? 70.57 -33.36 0.26 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.441 1.497 . . . . 10.0 113.032 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 70.3 m-85 -71.23 71.28 0.6 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 122.725 1.25 . . . . 10.0 112.795 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 20.12 56.92 0.21 Allowed Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 130.852 3.661 . . . . 10.0 112.923 175.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -67.36 -51.88 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 CA-C-N 120.014 1.041 . . . . 10.0 112.208 -162.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.76 -73.21 0.26 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.65 1.119 . . . . 10.0 110.504 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.5 m -21.77 -66.22 0.03 OUTLIER 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 130.259 3.424 . . . . 10.0 113.801 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.78 -71.4 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 124.811 1.245 . . . . 10.0 111.916 169.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.0 mtt -146.26 131.48 18.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.141 0.577 . . . . 10.0 110.357 -154.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -137.0 155.71 49.36 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.522 -2.029 . . . . 10.0 105.522 167.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -128.8 -34.55 1.95 Allowed 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.911 0.708 . . . . 10.0 112.911 -162.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.56 -143.8 21.89 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.852 -0.499 . . . . 10.0 111.852 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.44 116.78 2.09 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.615 1.102 . . . . 10.0 113.896 -170.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.731 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -40.66 -63.64 0.62 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.401 1.88 . . . . 10.0 111.702 175.099 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 tpmp? -162.0 -49.56 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.724 0 O-C-N 125.238 1.586 . . . . 10.0 109.384 162.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -113.96 172.53 6.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.704 1.202 . . . . 10.0 112.432 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.46 -51.53 23.33 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.853 1.661 . . . . 10.0 110.103 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -28.84 70.24 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.042 -1.036 . . . . 10.0 111.131 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.92 -51.11 70.66 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.627 ' NH1' HG23 ' A' ' 69' ' ' THR 0.268 12.5 ptt180 -55.69 -47.43 76.79 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.348 -0.541 . . . . 10.0 111.251 178.335 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -53.37 -52.12 60.29 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -54.64 35.26 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.873 0.869 . . . . 10.0 112.055 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.731 HD12 HD21 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -53.44 -61.14 2.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.315 1.446 . . . . 10.0 108.837 -177.434 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.408 ' CG2' ' HB2' ' A' ' 61' ' ' GLU . 1.4 mp -49.71 -48.42 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.9 m -60.15 -46.27 90.26 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 119.229 -0.988 . . . . 10.0 112.292 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -41.56 95.02 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 121.743 -0.598 . . . . 10.0 109.771 -175.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -29.2 60.74 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 123.734 0.814 . . . . 10.0 110.751 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -53.88 -69.57 0.12 Allowed 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 162.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -34.77 73.41 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 111.534 0.198 . . . . 10.0 111.534 -169.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.79 -48.81 30.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.261 1.025 . . . . 10.0 111.736 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.8 p -131.87 -1.05 3.78 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 116.144 1.905 . . . . 10.0 116.144 -171.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 . . . . . 0 C--O 1.251 1.166 0 N-CA-C 103.438 -2.801 . . . . 10.0 103.438 163.132 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 104' ' ' IMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1018 ' ' HEC . . . . . 0.763 HBC3 HMC1 ' A' 1018 ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -59.81 151.75 24.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.975 0.797 . . . . 10.0 111.012 173.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -101.86 126.42 48.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 105.243 -2.132 . . . . 10.0 105.243 161.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -96.63 165.7 12.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.407 -0.96 . . . . 10.0 108.407 172.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -160.97 146.94 14.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -164.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 41.03 65.56 1.05 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 125.972 1.749 . . . . 10.0 112.928 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -104.78 -62.6 1.31 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.721 1.209 . . . . 10.0 108.23 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.63 -26.9 41.02 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.139 0.976 . . . . 10.0 109.594 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER 45.05 45.43 8.93 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.282 1.433 . . . . 10.0 110.526 -167.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -105.2 -14.87 15.23 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.896 2.078 . . . . 10.0 110.964 169.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.55 -46.72 2.14 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.886 1.708 . . . . 10.0 114.405 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.21 -16.44 62.51 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.555 -0.968 . . . . 10.0 112.608 -175.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.32 -31.75 10.81 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.857 1.663 . . . . 10.0 109.869 176.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mt -52.97 -53.34 51.3 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 166.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -49.05 -51.83 29.01 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.12 0.568 . . . . 10.0 111.544 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 34.3 mtmm -57.69 -16.96 12.45 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.485 0.92 . . . . 10.0 113.485 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -120.15 8.37 10.93 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.187 0.995 . . . . 10.0 111.54 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' HG2' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -133.47 -60.76 0.83 Allowed 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.905 1.282 . . . . 10.0 109.581 -177.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.4 m -87.34 -37.25 17.28 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.41 0.684 . . . . 10.0 109.398 -171.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 13.4 tp -56.3 -24.93 46.49 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.917 0.887 . . . . 10.0 112.26 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -46.46 -40.12 11.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.156 0.982 . . . . 10.0 111.491 168.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.0 m -130.1 -27.82 2.22 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.674 1.19 . . . . 10.0 113.848 -164.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -134.37 172.07 13.4 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.325 1.45 . . . . 10.0 110.931 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.1 p -131.67 159.39 38.47 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.619 1.168 . . . . 10.0 109.623 167.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.14 4.0 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.976 1.311 . . . . 10.0 110.868 169.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.74 158.45 18.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -65.39 96.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.257 0.623 . . . . 10.0 111.829 -171.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.66 38.57 96.65 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 109.461 -1.455 . . . . 10.0 109.461 -171.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.13 168.09 11.13 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 123.129 0.395 . . . . 10.0 112.114 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.07 137.26 51.67 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.34 2.027 . . . . 10.0 111.154 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -75.96 65.39 2.02 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.551 1.54 . . . . 10.0 109.105 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -45.27 -65.9 0.47 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.464 1.506 . . . . 10.0 112.579 -166.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.8 t -121.52 -51.4 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 124.627 1.171 . . . . 10.0 108.787 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.88 -175.44 32.09 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 108.352 -1.899 . . . . 10.0 108.352 164.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.19 175.35 11.37 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.139 1.893 . . . . 10.0 111.112 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -76.79 151.84 35.79 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.623 -1.171 . . . . 10.0 110.291 166.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mp -111.56 8.81 21.11 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.638 1.575 . . . . 10.0 111.692 -170.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -53.62 110.84 0.62 Allowed 'General case' 0 C--O 1.235 0.322 0 O-C-N 120.767 -1.208 . . . . 10.0 111.854 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.44 26.69 74.3 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.309 0.957 . . . . 10.0 111.036 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 tt -59.42 -35.6 59.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 117.599 0.7 . . . . 10.0 111.898 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -59.29 -55.5 34.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.877 0.846 . . . . 10.0 109.904 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.04 47.65 3.61 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.96 -0.856 . . . . 10.0 110.96 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -142.16 -102.99 0.14 Allowed 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.442 -1.688 . . . . 10.0 106.442 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -179.4 -177.59 0.45 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 129.185 2.994 . . . . 10.0 104.841 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -66.1 82.18 0.08 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 122.356 1.074 . . . . 10.0 111.325 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.11 60.33 2.91 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.14 -0.937 . . . . 10.0 111.352 166.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -92.84 46.17 1.22 Allowed 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.25 -1.389 . . . . 10.0 107.25 150.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.48 137.86 52.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.592 -1.262 . . . . 10.0 107.592 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 1.6 pm0 -58.04 163.03 3.0 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 163.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.4 -72.77 0.1 OUTLIER Glycine 0 CA--C 1.536 1.353 0 N-CA-C 116.045 1.178 . . . . 10.0 116.045 167.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -74.42 80.82 1.9 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.771 0.828 . . . . 10.0 111.575 -163.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -71.95 69.29 0.71 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.165 0.986 . . . . 10.0 111.853 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.97 173.82 4.23 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.325 1.45 . . . . 10.0 112.769 169.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -83.12 -52.4 6.66 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.539 0.735 . . . . 10.0 110.981 -173.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.99 45.72 2.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.951 2.101 . . . . 10.0 114.809 161.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.88 -52.53 49.39 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.541 -0.725 . . . . 10.0 110.863 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -59.95 -47.28 86.45 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 123.826 0.851 . . . . 10.0 110.076 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mm -50.71 -58.52 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 125.714 1.606 . . . . 10.0 108.17 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -53.76 -77.7 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 117.679 -1.153 . . . . 10.0 111.003 -172.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.7 tptt 26.71 46.01 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.204 1.802 . . . . 10.0 113.571 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 15.23 68.63 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.981 2.112 . . . . 10.0 114.989 -156.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.19 154.14 6.66 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 C-N-CA 123.962 0.905 . . . . 10.0 110.703 -174.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.75 160.4 14.62 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.655 0.782 . . . . 10.0 109.189 169.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -102.35 121.73 42.86 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.519 -1.289 . . . . 10.0 107.519 174.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.97 162.45 17.35 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 105.652 -1.981 . . . . 10.0 105.652 174.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HB2' ' CG2' ' A' ' 95' ' ' ILE . 1.3 pm0 -55.68 -42.08 74.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.951 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -59.12 -62.06 2.17 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.466 0.706 . . . . 10.0 111.415 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -53.45 -47.19 69.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 122.075 0.94 . . . . 10.0 109.762 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.5 ttm -59.5 -50.68 72.97 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.232 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 t -51.3 -43.37 61.64 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 118.581 0.628 . . . . 10.0 112.133 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -58.73 -53.07 62.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.343 0.519 . . . . 10.0 109.938 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -56.8 -26.58 58.16 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.221 0.822 . . . . 10.0 113.221 176.392 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mp -92.23 2.43 56.62 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.666 1.986 . . . . 10.0 112.878 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.627 HG23 ' NH1' ' A' ' 91' ' ' ARG . 3.2 m -104.8 -65.0 1.07 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 119.581 1.082 . . . . 10.0 110.601 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.477 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . 4.5 t30 -71.63 133.08 84.89 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 118.917 -1.113 . . . . 10.0 111.005 -169.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.67 105.97 0.84 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.911 2.407 . . . . 10.0 110.529 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 tttt 51.92 -137.47 1.19 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.441 1.096 . . . . 10.0 110.317 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? 70.57 -33.36 0.26 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.441 1.497 . . . . 10.0 113.032 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 70.3 m-85 -71.23 71.28 0.6 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 122.725 1.25 . . . . 10.0 112.795 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 20.12 56.92 0.21 Allowed Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 130.852 3.661 . . . . 10.0 112.923 175.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -67.36 -51.88 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 CA-C-N 120.014 1.041 . . . . 10.0 112.208 -162.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.76 -73.21 0.26 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.65 1.119 . . . . 10.0 110.504 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.5 m -21.77 -66.22 0.03 OUTLIER 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 130.259 3.424 . . . . 10.0 113.801 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.78 -71.4 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 124.811 1.245 . . . . 10.0 111.916 169.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 29.0 mtt -146.26 131.48 18.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.141 0.577 . . . . 10.0 110.357 -154.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -137.0 155.71 49.36 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.522 -2.029 . . . . 10.0 105.522 167.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -128.8 -34.55 1.95 Allowed 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.911 0.708 . . . . 10.0 112.911 -162.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.56 -143.8 21.89 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.852 -0.499 . . . . 10.0 111.852 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.44 116.78 2.09 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.615 1.102 . . . . 10.0 113.896 -170.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.731 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -40.66 -63.64 0.62 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.401 1.88 . . . . 10.0 111.702 175.099 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 tpmp? -162.0 -49.56 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.724 0 O-C-N 125.238 1.586 . . . . 10.0 109.384 162.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -113.96 172.53 6.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.704 1.202 . . . . 10.0 112.432 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.46 -51.53 23.33 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.853 1.661 . . . . 10.0 110.103 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -28.84 70.24 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.042 -1.036 . . . . 10.0 111.131 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.92 -51.11 70.66 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.627 ' NH1' HG23 ' A' ' 69' ' ' THR 0.268 12.5 ptt180 -55.69 -47.43 76.79 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.348 -0.541 . . . . 10.0 111.251 178.335 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -53.37 -52.12 60.29 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -54.64 35.26 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.873 0.869 . . . . 10.0 112.055 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.731 HD12 HD21 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -53.44 -61.14 2.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.315 1.446 . . . . 10.0 108.837 -177.434 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.408 ' CG2' ' HB2' ' A' ' 61' ' ' GLU . 1.4 mp -49.71 -48.42 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.9 m -60.15 -46.27 90.26 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 119.229 -0.988 . . . . 10.0 112.292 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -41.56 95.02 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 121.743 -0.598 . . . . 10.0 109.771 -175.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -29.2 60.74 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 123.734 0.814 . . . . 10.0 110.751 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -53.88 -69.57 0.12 Allowed 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 162.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -34.77 73.41 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 111.534 0.198 . . . . 10.0 111.534 -169.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.79 -48.81 30.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.261 1.025 . . . . 10.0 111.736 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.8 p -131.87 -1.05 3.78 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 116.144 1.905 . . . . 10.0 116.144 -171.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 . . . . . 0 C--O 1.251 1.166 0 N-CA-C 103.438 -2.801 . . . . 10.0 103.438 163.132 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' IMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1018 ' ' HEC . . . . . 0.763 HBC3 HMC1 ' A' 1018 ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_