data_2mdp_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 2mdp _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 ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m120 . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.237 0.541 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 77.4 mt -90.71 -0.8 57.82 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.145 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.89 72.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.008 0.432 . . . . 0.0 110.936 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.5 -49.01 78.9 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.89 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 35.1 mmtp -52.82 -37.03 59.42 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.6 76.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.04 74.01 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -50.21 -39.58 44.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -58.7 -31.67 68.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.905 0.384 . . . . 0.0 111.519 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.32 -35.98 76.49 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.096 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.26 -45.55 83.88 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.235 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.26 -42.0 96.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.324 . . . . 0.0 111.265 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.94 -10.41 58.48 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.5 tp -108.88 -1.8 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 t70 63.53 57.38 1.47 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.825 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.68 175.12 9.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.988 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.16 149.66 48.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.614 0.245 . . . . 0.0 110.413 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -146.22 137.33 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.621 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -135.32 137.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.029 0.442 . . . . 0.0 110.631 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.96 151.79 30.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.28 122.15 37.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.334 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.836 -177.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.0 mm -120.88 106.8 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -107.29 126.47 52.47 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.584 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -115.36 125.55 53.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -126.77 136.29 52.2 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.906 0.384 . . . . 0.0 111.851 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.408 HG13 ' HE1' ' A' ' 77' ' ' MET . 31.0 mm -116.38 137.96 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.95 172.0 19.24 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.59 0.632 . . . . 0.0 110.78 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.621 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 35.0 t70 -86.54 -159.87 0.52 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.741 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.621 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -100.94 -35.25 9.46 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.476 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 23.3 t -85.84 -55.53 3.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.182 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.18 -31.1 0.04 OUTLIER Glycine 0 C--N 1.332 0.331 0 C-N-CA 119.275 -1.44 . . . . 0.0 114.52 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.4 111.55 0.81 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 117.293 0.547 . . . . 0.0 111.829 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.523 HD22 ' H ' ' A' ' 52' ' ' LEU . 2.1 pt? -79.45 141.21 36.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.385 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.2 mm -97.8 -61.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.617 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -170.55 172.3 6.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.55 0.214 . . . . 0.0 110.63 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -153.75 153.39 32.12 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 t -150.64 143.13 24.39 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.7 m -117.75 129.15 55.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -113.77 128.81 56.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -150.51 126.5 10.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.624 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.4 t-80 -173.63 -156.62 0.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -172.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.624 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 8.3 t-80 -61.55 166.35 4.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.605 0.762 . . . . 0.0 109.457 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -40.69 179.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.13 74.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 113.777 -1.556 . . . . 0.0 114.133 -168.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.47 -54.53 45.77 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.804 0.335 . . . . 0.0 111.523 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.491 HG13 ' HB3' ' A' ' 61' ' ' HIS . 9.9 p -67.37 -35.1 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -57.87 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.851 0.358 . . . . 0.0 110.307 -177.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.19 -36.73 73.53 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.78 -46.98 86.27 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.913 0.387 . . . . 0.0 110.17 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 74.5 mtm -60.41 -44.22 95.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.427 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.8 m -62.97 -50.78 69.43 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.0 t -65.31 -31.82 73.16 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.745 0.307 . . . . 0.0 111.249 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.92 -52.87 62.31 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.058 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.54 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 60.3 t90 -63.02 -36.69 84.39 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.955 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.587 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 27.1 t-20 -67.24 -30.52 70.45 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.315 0.579 . . . . 0.0 110.373 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.54 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 4.1 t60 -55.7 -43.72 76.71 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.025 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.408 ' HE1' HG13 ' A' ' 45' ' ' ILE . 20.7 ptp -76.98 -21.57 54.51 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 75' ' ' ASN . 13.4 m-85 -53.26 -56.36 17.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.28 -43.4 98.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.181 0.515 . . . . 0.0 111.544 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.9 -42.16 75.6 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.953 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.98 -8.67 58.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.87 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 65.6 mttm -83.84 -15.79 46.93 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.242 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.32 -0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 110.671 178.416 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 m120 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 mt -101.49 8.93 41.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.3 70.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.808 0.337 . . . . 0.0 111.233 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.37 -27.09 32.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 0.0 110.944 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.34 -44.38 97.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.77 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -60.71 -37.79 82.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.857 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.19 79.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.03 0.443 . . . . 0.0 110.525 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.37 -24.71 46.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.225 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.49 ' HA ' HD12 ' A' ' 19' ' ' LEU . 96.4 m -58.93 -42.3 89.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.961 0.504 . . . . 0.0 112.344 -177.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.56 -39.95 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.119 0.485 . . . . 0.0 110.888 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -53.89 -37.38 63.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.464 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 16' ' ' THR . 8.3 mp -61.02 -43.57 98.69 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.05 0.453 . . . . 0.0 110.455 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.51 -42.16 99.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.386 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -57.4 -50.3 73.45 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.12 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.42 4.34 35.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.94 57.47 2.57 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.337 0.589 . . . . 0.0 111.222 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 pp -141.61 176.63 8.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.639 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.78 160.98 41.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.506 0.193 . . . . 0.0 110.776 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.41 147.84 31.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -130.63 138.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -116.74 127.83 54.74 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.427 0.632 . . . . 0.0 111.498 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.26 148.74 31.29 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.3 t . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.75 120.13 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.706 0.289 . . . . 0.0 110.858 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -120.59 116.91 26.27 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.28 128.57 44.25 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -127.68 121.97 31.77 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.748 0.309 . . . . 0.0 111.595 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.3 mm -108.39 130.66 60.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -151.52 145.92 25.52 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.77 170.7 10.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.391 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.1 12.3 1.2 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.206 0.527 . . . . 0.0 111.356 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -132.83 162.02 32.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.784 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.17 56.37 1.1 Allowed Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.05 -16.31 13.09 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.24 99.49 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 123.735 0.814 . . . . 0.0 112.815 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.29 -65.65 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.3 164.98 13.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.561 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.8 p -143.48 141.99 31.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.375 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 m -144.64 130.67 19.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.591 0.234 . . . . 0.0 111.037 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.9 m -112.01 129.22 56.27 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.25 125.78 41.54 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -160.44 119.55 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.144 172.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.416 ' CD2' ' H ' ' A' ' 61' ' ' HIS . 11.5 t60 -167.99 -133.88 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.301 -175.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.416 ' H ' ' CD2' ' A' ' 60' ' ' HIS . 1.4 t-80 -62.65 167.08 4.73 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.309 1.044 . . . . 0.0 110.977 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -39.78 170.17 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.679 1.192 . . . . 0.0 112.636 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.96 -23.23 61.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.744 -165.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.4 -50.99 70.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.212 0.53 . . . . 0.0 109.6 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.71 -43.27 80.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.292 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -46.46 90.6 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.06 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -71.78 -43.11 66.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.515 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -57.8 -41.96 83.22 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.62 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.3 mtm -66.16 -46.8 76.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.637 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.41 -57.58 11.26 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -51.3 -37.82 49.56 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.82 -54.91 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -54.05 -39.64 66.4 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.2 -49.94 75.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.567 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -66.69 -26.61 67.11 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.982 0.42 . . . . 0.0 112.034 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -41.73 76.65 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.4 -22.27 57.58 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -60.16 -43.75 95.54 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -62.47 -40.1 95.56 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.667 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.03 -41.43 99.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.574 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.13 -40.21 89.0 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 120.938 0.399 . . . . 0.0 111.353 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.374 0.607 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.55 0.53 13.35 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.985 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.97 62.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.89 26.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.152 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.37 -56.51 21.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.349 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.33 -36.32 83.75 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.52 83.97 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.15 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -62.66 -39.31 93.52 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 111.209 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -57.71 -36.15 71.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.685 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.18 -35.09 79.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.186 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.88 -41.24 74.12 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.694 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -61.04 -41.87 97.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.138 0.494 . . . . 0.0 110.481 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.59 -25.8 66.79 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -112.14 1.29 16.19 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.936 0.789 . . . . 0.0 110.474 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 71.79 38.53 0.94 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.471 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.6 mt -115.52 163.37 15.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.134 0.492 . . . . 0.0 111.876 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.67 162.83 37.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.916 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -146.09 138.45 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.4 pt -128.14 132.03 68.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 110.706 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -103.6 143.45 32.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 8.8 m-20 -80.84 168.71 18.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.346 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 CA--C 1.513 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.705 -177.585 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.604 0.24 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -144.65 133.52 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 43.5 ttm180 -125.3 140.17 53.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.748 0.308 . . . . 0.0 110.988 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.99 115.74 30.75 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -116.02 125.29 52.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.398 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mm -114.91 129.38 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -132.86 167.12 20.78 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.789 0.328 . . . . 0.0 110.781 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -102.85 147.61 26.68 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.803 0.811 . . . . 0.0 111.759 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -72.52 12.56 0.46 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.493 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 t -131.97 19.41 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.841 0.829 . . . . 0.0 108.891 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.1 -29.93 10.85 Favored Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.174 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.64 172.83 0.63 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.402 0.62 . . . . 0.0 112.459 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -127.03 144.69 50.96 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.45 -61.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.335 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -164.95 167.13 18.85 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -152.48 147.64 26.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -150.43 142.94 24.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -121.75 131.42 54.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.051 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -126.65 137.81 53.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.355 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -146.25 126.8 14.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -172.25 134.51 0.71 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -87.95 77.37 8.48 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.849 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 13.2 t70 -147.17 112.24 5.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.54 172.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -59.61 -44.9 93.26 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.16 -55.71 9.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.09 0.472 . . . . 0.0 112.114 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.62 -39.47 83.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.319 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -55.77 -56.51 19.71 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.87 -38.27 90.18 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -60.41 -47.36 86.44 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.912 0.386 . . . . 0.0 110.705 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.89 -42.06 92.98 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.724 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.2 m -66.42 -44.8 81.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 t -73.58 -29.4 62.38 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.679 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.65 -52.12 65.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.468 ' O ' ' HD2' ' A' ' 76' ' ' HIS . 68.6 t90 -57.18 -31.45 65.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.23 -38.07 87.79 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.189 0.518 . . . . 0.0 111.356 -176.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -64.17 -37.46 87.56 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.468 ' HD2' ' O ' ' A' ' 73' ' ' TRP . 0.0 OUTLIER -61.81 -31.74 71.99 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -173.386 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ptp -76.71 -22.24 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -59.87 -58.12 9.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.95 -45.25 82.46 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -49.62 -39.36 35.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.72 -46.38 85.68 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.252 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -39.37 79.65 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.673 0.273 . . . . 0.0 111.211 175.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.926 -177.581 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.7 mt -66.23 -25.81 67.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.877 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.84 73.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.763 0.315 . . . . 0.0 110.647 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -40.52 71.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.042 0.449 . . . . 0.0 110.81 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.89 -47.99 83.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.503 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 57.3 mtmt -60.55 -36.78 79.3 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.22 62.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.07 68.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.725 0.298 . . . . 0.0 111.768 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -59.36 -45.65 90.82 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.04 -176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.94 -34.5 78.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.038 0.447 . . . . 0.0 111.063 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -71.84 -38.09 70.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.48 -43.47 98.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.252 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.05 -42.0 97.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.416 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.66 -11.82 19.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -112.2 -0.64 15.46 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.663 1.119 . . . . 0.0 109.499 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 68.01 57.18 0.51 Allowed 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.694 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -136.68 167.53 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.087 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.1 152.5 35.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.897 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.48 131.19 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.785 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -133.42 131.45 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 112.065 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -124.24 158.78 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.361 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -143.28 145.58 32.86 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.47 0.539 0 O-C-N 123.622 0.576 . . . . 0.0 110.786 176.785 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 p . . . . . 0 C--O 1.217 -0.635 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -137.34 117.73 16.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.298 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' HG23 ' A' ' 57' ' ' THR . 70.2 mtp180 -108.97 132.01 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.33 116.33 27.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -115.45 132.02 56.75 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 111.627 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.8 mm -118.89 131.46 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 116.328 -0.397 . . . . 0.0 109.961 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 52' ' ' LEU . 43.2 mt-10 -148.9 170.39 18.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.589 0.233 . . . . 0.0 110.406 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 36.3 t70 -75.4 -170.49 1.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.607 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 1.8 mpp_? -98.56 -37.38 9.57 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -86.51 -72.84 0.48 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.66 72.61 0.15 Allowed Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.651 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.69 114.69 4.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.805 0.336 . . . . 0.0 110.287 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 2.3 pt? -72.73 140.09 47.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.991 0.424 . . . . 0.0 110.996 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.87 -61.95 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -164.12 165.23 22.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.55 0.214 . . . . 0.0 110.677 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.1 p -140.06 129.42 23.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.077 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.4 t -139.41 137.9 36.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 0.0 111.562 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 42' ' ' ARG . 99.4 m -120.45 124.23 44.93 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.938 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -109.01 116.64 32.39 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 23.0 p90 -159.45 122.42 3.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 71.7 t60 -179.56 -70.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 120.546 -0.462 . . . . 0.0 112.078 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.28 163.81 17.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.436 -174.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 63' ' ' GLU . 33.5 t70 -42.74 172.94 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.789 1.236 . . . . 0.0 113.629 -177.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.535 ' H ' ' CG ' ' A' ' 62' ' ' ASP . 14.5 pt-20 -61.77 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.839 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.43 -55.59 31.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.262 0.553 . . . . 0.0 110.56 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.68 -41.61 80.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.708 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -57.18 14.02 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.595 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -64.49 -34.37 78.06 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.67 -45.04 90.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.253 0.549 . . . . 0.0 109.669 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.0 mtm -62.93 -40.26 97.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.951 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.84 -47.35 75.26 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -62.56 -40.27 96.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.92 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.09 -25.66 66.33 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.505 0.669 . . . . 0.0 110.825 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.428 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 70.7 t90 -73.29 -44.03 59.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.31 -171.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.64 -45.9 67.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.828 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -60.72 -29.23 69.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 2.7 t60 -57.26 -43.17 82.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.831 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.7 ptp -79.06 -21.3 47.0 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -57.65 -48.01 80.67 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.58 -44.51 96.89 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -173.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.81 -35.91 69.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.219 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.52 -5.86 59.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.271 0.558 . . . . 0.0 111.018 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -85.32 -13.62 49.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.417 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.267 177.562 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 N--CA 1.469 0.485 0 CA-C-O 121.357 0.598 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.76 -2.53 11.37 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -51.4 70.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.33 -34.36 25.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.09 0.472 . . . . 0.0 110.55 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -57.38 -48.42 79.1 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.084 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -62.84 -33.41 75.19 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.89 79.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.96 79.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.704 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 m -58.45 -40.88 83.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.867 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -62.82 -31.66 72.71 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -68.68 -36.49 78.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -57.03 -33.27 67.03 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.056 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.55 -33.62 72.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -76.7 -15.04 59.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.06 -3.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.27 56.19 5.32 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 123.449 0.468 . . . . 0.0 111.328 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 pp -147.51 172.54 13.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.402 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.3 151.64 31.15 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -116.86 130.18 72.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.034 0.445 . . . . 0.0 111.885 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.2 pt -108.19 138.1 36.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -107.78 148.59 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.501 . . . . 0.0 111.889 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.3 125.07 31.85 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.337 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--O 1.235 0.314 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.114 179.433 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 120.312 0.101 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -139.88 125.27 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -113.53 134.59 54.61 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.59 0.233 . . . . 0.0 111.573 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.44 110.2 22.34 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -106.35 125.9 51.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.036 0.446 . . . . 0.0 111.539 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.8 mm -106.12 126.56 61.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -139.89 144.98 37.45 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.84 154.28 36.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.354 0.597 . . . . 0.0 111.305 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.79 -30.7 63.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.826 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -92.43 22.66 4.42 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.824 -0.547 . . . . 0.0 111.33 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.87 55.48 9.46 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.863 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -135.94 135.59 39.74 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.41 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.7 pt? -73.66 147.89 43.3 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 122.203 -0.311 . . . . 0.0 110.518 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.45 -44.61 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.412 ' OD2' ' HZ2' ' A' ' 73' ' ' TRP . 41.0 t0 -176.66 173.51 1.98 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.307 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -148.26 143.7 27.15 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.487 0.315 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.5 m -150.03 143.0 24.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.464 0.173 . . . . 0.0 110.728 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.6 m -128.75 130.27 46.84 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -127.51 121.11 29.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -151.44 111.15 4.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.101 0.953 . . . . 0.0 113.164 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -171.85 153.74 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -88.28 80.65 7.48 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 119.104 -1.039 . . . . 0.0 112.431 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -144.6 104.05 4.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.711 171.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -49.47 72.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -177.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -37.53 51.51 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.413 -0.915 . . . . 0.0 112.686 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.36 -41.72 91.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.76 -52.76 64.14 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.7 -34.6 78.69 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -57.98 -51.08 71.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.078 0.466 . . . . 0.0 110.605 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.26 -36.64 80.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.05 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.08 -49.38 76.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -72.55 -37.99 68.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.63 -33.09 75.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.141 0.496 . . . . 0.0 111.692 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.412 ' HZ2' ' OD2' ' A' ' 54' ' ' ASP . 78.6 t90 -72.76 -38.18 67.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.685 0.755 . . . . 0.0 110.14 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 77' ' ' MET . 79.4 mt -65.75 -41.68 91.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.593 -177.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.539 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 49.2 t30 -61.53 -37.57 84.21 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.296 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -37.05 73.15 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 74' ' ' LEU . 20.8 ptp -76.53 -21.95 55.05 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 28.9 m-85 -59.09 -51.43 70.08 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.81 -46.8 89.1 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.51 -39.81 85.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.25 2.78 42.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.114 0.483 . . . . 0.0 112.109 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 61.4 mttm -86.04 -14.13 45.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.068 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 121.089 0.471 . . . . 0.0 110.468 177.206 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.833 0.349 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.39 6.38 37.67 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -53.25 57.71 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.42 -27.87 29.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.368 0.604 . . . . 0.0 110.618 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -58.24 -46.49 85.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.583 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -62.35 -33.82 75.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.23 -26.94 53.14 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -24.29 67.69 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 m -59.03 -42.56 90.48 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.51 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.49 -36.47 82.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.135 0.493 . . . . 0.0 111.007 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.36 -35.78 74.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.378 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD22 ' OH ' ' A' ' 78' ' ' TYR . 91.3 mt -58.75 -42.68 89.43 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.951 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.86 -31.07 72.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.434 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.88 -44.34 74.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.1 tp -107.7 12.12 27.78 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 65.52 58.42 0.83 Allowed 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.222 0.534 . . . . 0.0 112.277 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 4.3 pp -145.51 171.23 14.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.86 -179.46 6.71 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.495 0.183 . . . . 0.0 111.495 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 p -147.44 139.35 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.634 0.373 . . . . 0.0 110.302 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -129.78 141.1 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -125.28 152.9 44.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.454 ' OD2' ' HD2' ' A' ' 42' ' ' ARG . 35.0 m-20 -114.98 136.46 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.924 -177.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.025 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 120.406 0.146 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.5 mt -133.69 128.57 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-O 120.667 0.27 . . . . 0.0 111.319 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HD2' ' OD2' ' A' ' 29' ' ' ASP . 31.7 ttm180 -124.99 136.22 53.52 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.836 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.81 121.49 43.76 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.718 0.407 . . . . 0.0 110.448 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -116.55 119.97 37.26 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.95 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.44 HG13 ' HE3' ' A' ' 77' ' ' MET . 47.5 mm -108.77 130.09 62.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 176.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.5 160.05 43.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.99 163.45 17.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -80.44 12.58 2.93 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 123.267 0.627 . . . . 0.0 112.455 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -116.86 15.57 15.26 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.988 0.423 . . . . 0.0 109.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.18 3.85 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.621 -0.799 . . . . 0.0 111.504 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -153.56 115.91 4.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.74 140.34 49.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.633 0.254 . . . . 0.0 110.555 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.1 mm -101.58 -51.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.739 0.305 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -164.85 166.55 19.56 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -148.54 147.12 28.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.661 0.385 . . . . 0.0 110.542 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.6 t -147.91 139.87 24.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.2 m -128.74 138.43 52.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -122.21 138.95 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.627 0.251 . . . . 0.0 111.246 -177.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 88.5 m-85 -132.72 125.76 30.96 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 6.6 t-80 170.4 121.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -77.75 78.46 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.191 -1.404 . . . . 0.0 110.303 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.655 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 1.1 m-20 -144.66 123.0 12.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.938 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.22 -58.62 4.99 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 120.844 0.354 . . . . 0.0 111.644 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.99 -43.99 77.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.063 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 62' ' ' ASP . 87.3 t -62.42 -44.31 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.538 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.655 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -60.62 -53.18 60.64 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.804 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -59.92 -43.59 94.81 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -56.76 -43.14 80.5 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.583 0.23 . . . . 0.0 111.474 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.8 mtm -68.56 -41.08 80.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.236 0.541 . . . . 0.0 111.24 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.09 -38.18 82.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -173.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -74.56 -32.07 62.3 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -172.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -60.81 -53.3 58.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.534 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 81.2 t90 -55.61 -30.62 61.23 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.52 -44.75 95.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.735 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -75.39 -21.62 58.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.553 0.692 . . . . 0.0 110.639 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 5.8 t60 -56.64 -43.17 80.01 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.921 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.44 ' HE3' HG13 ' A' ' 45' ' ' ILE . 17.8 ptp -67.15 -32.9 74.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.61 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 74.3 m-85 -59.07 -43.84 91.79 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.89 -30.5 70.91 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.95 -39.47 26.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.2 mt -78.5 -19.03 53.89 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.8 mttt -62.71 -35.26 79.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.537 0.208 . . . . 0.0 111.543 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 111.612 -178.869 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.43 ' C ' ' H ' ' A' ' 10' ' ' ALA . 78.9 m-20 . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.685 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 97.3 mt -61.9 10.57 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -53.06 -52.45 58.49 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.448 0.567 . . . . 0.0 112.482 -175.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.77 83.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.386 0.612 . . . . 0.0 110.808 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.17 -43.53 78.45 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.685 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 65.3 mttm -55.49 -35.06 65.15 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -29.17 65.21 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.49 -23.51 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.9 m -57.05 -47.29 81.32 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -66.99 -34.96 78.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.035 0.445 . . . . 0.0 111.63 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -70.93 -35.51 72.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -54.66 -37.07 65.27 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.225 0.61 . . . . 0.0 112.22 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -60.88 -34.38 74.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 111.09 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -76.8 -9.42 58.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -110.4 -6.56 14.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.508 0.67 . . . . 0.0 110.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 62.89 48.32 4.05 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.926 172.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.17 171.26 15.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.5 -179.04 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.055 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -149.73 143.07 17.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.386 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.87 136.72 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.032 0.444 . . . . 0.0 111.044 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -116.11 152.48 33.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -126.51 127.46 45.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.338 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.941 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 120.705 0.288 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.92 125.86 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.825 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.426 ' HG2' HG21 ' A' ' 57' ' ' THR . 60.9 mtp180 -107.14 128.92 54.83 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.918 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 tp -109.98 111.06 22.22 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.474 ' HE ' ' CD ' ' A' ' 46' ' ' GLU . 25.9 ttt180 -110.95 128.55 55.87 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.4 mm -108.83 127.86 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.474 ' CD ' ' HE ' ' A' ' 44' ' ' ARG . 56.5 mt-10 -149.36 167.4 26.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.086 0.47 . . . . 0.0 111.769 178.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' HB3' ' HB3' ' A' ' 51' ' ' ASN . 28.1 t70 -90.78 169.09 11.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.249 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.468 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -96.03 9.45 40.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.2 t -132.66 36.3 3.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.818 -0.551 . . . . 0.0 111.498 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 57.94 4.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.607 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 47.1 t30 -151.9 105.74 3.14 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 3.7 pp -75.25 146.05 41.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.77 -51.99 7.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -176.87 176.82 1.4 Allowed 'General case' 0 C--O 1.238 0.455 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -145.14 143.72 30.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.4 t -149.43 143.79 25.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.816 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.426 HG21 ' HG2' ' A' ' 42' ' ' ARG . 85.1 m -128.39 132.31 48.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.58 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.38 114.61 22.08 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.738 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.25 0.547 . . . . 0.0 111.245 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.5 t60 176.53 122.44 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -81.05 80.26 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.627 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 11.8 t70 -143.69 104.36 4.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.358 171.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.84 -50.45 64.53 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.68 -39.75 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -51.9 -56.48 13.82 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.165 -173.184 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.55 -29.47 68.04 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.01 -44.1 97.91 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.8 mtm -66.68 -36.63 82.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.1 m -63.8 -44.86 92.06 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 t -76.04 -33.2 59.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 110.938 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.93 -28.71 69.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.537 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 62.8 t90 -75.22 -37.81 60.95 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.828 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.32 -46.43 76.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.544 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.57 -31.63 72.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.537 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 38.5 t60 -55.64 -44.36 77.1 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.015 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 ptp -78.44 -22.66 47.32 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.604 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 52.4 m-85 -58.05 -46.02 86.07 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.26 -50.56 73.15 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -64.55 -39.97 94.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.587 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.1 mt -81.64 -1.83 48.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -175.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 97.0 mttt -81.02 -20.53 41.54 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.683 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 178.756 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 121.792 0.806 . . . . 0.0 108.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -117.95 -9.4 10.61 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.404 -1.271 . . . . 0.0 113.306 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.23 64.88 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.15 -39.55 60.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.163 0.506 . . . . 0.0 111.246 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.37 -51.56 69.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.81 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' O ' ' HB ' ' A' ' 16' ' ' THR . 75.2 mmtt -66.79 -34.69 78.37 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -29.3 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 13' ' ' LYS . 96.6 m -61.31 -44.65 96.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.806 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.09 -27.63 68.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.099 0.476 . . . . 0.0 111.287 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 14.7 mptt -68.94 -34.41 75.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.656 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.38 -37.89 68.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.272 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.11 -41.72 97.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.13 -8.67 56.8 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.436 0.636 . . . . 0.0 111.007 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.1 tp -110.04 -5.53 15.39 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.456 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 60.23 46.2 10.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.086 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -150.04 178.16 9.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.562 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.04 145.63 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.595 0.236 . . . . 0.0 110.583 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -95.64 119.6 43.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 pt -97.2 129.49 47.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.828 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -117.81 157.17 27.07 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.159 0.504 . . . . 0.0 111.318 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.408 ' CB ' ' HB2' ' A' ' 42' ' ' ARG . 33.4 t70 -82.02 154.68 25.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.864 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 . . . . . 0 C--N 1.312 -1.059 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.012 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 120.707 0.289 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -127.95 111.76 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.694 0.283 . . . . 0.0 110.4 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HB2' ' CB ' ' A' ' 29' ' ' ASP . 73.8 mtt85 -112.09 135.27 52.96 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.79 111.29 22.36 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.375 0.27 . . . . 0.0 111.516 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -107.35 122.73 47.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.7 0.286 . . . . 0.0 111.103 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.45 127.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.717 0.294 . . . . 0.0 111.127 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -152.28 158.51 42.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.47 158.38 35.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.529 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -74.77 9.36 1.88 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -112.65 6.96 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.44 -18.9 56.07 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 113.432 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -62.56 120.52 11.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.852 0.326 . . . . 0.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' HD11 ' A' ' 52' ' ' LEU . 3.6 pp -69.99 146.69 50.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.312 0.577 . . . . 0.0 112.307 -177.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.7 mm -110.98 -51.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.843 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -173.17 175.46 3.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.094 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -149.67 140.0 22.31 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -142.06 141.67 32.79 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 111.69 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.9 m -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -107.61 114.63 28.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.46 127.99 15.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 172.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.516 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 5.3 t-80 -174.82 -155.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.96 -176.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.516 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 71.8 m-70 -61.7 163.78 6.88 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.015 0.926 . . . . 0.0 110.407 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.478 ' O ' HG11 ' A' ' 65' ' ' VAL . 16.4 t70 -43.16 159.56 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -35.63 -32.58 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.612 1.965 . . . . 0.0 115.862 -175.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -55.97 -43.21 77.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 118.369 0.531 . . . . 0.0 111.352 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.478 HG11 ' O ' ' A' ' 62' ' ' ASP . 8.7 p -73.94 -32.42 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.93 -51.89 67.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -172.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.48 -36.1 82.63 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.02 -43.44 98.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 76.1 mtm -67.94 -38.04 82.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.042 0.449 . . . . 0.0 111.057 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.8 m -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.82 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -73.1 -41.54 63.93 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.662 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.92 -31.2 71.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 111.529 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -75.6 -42.64 51.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.015 0.912 . . . . 0.0 109.124 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.53 -41.41 84.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.628 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -62.99 -36.05 82.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.06 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.72 -42.52 75.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.667 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.8 ptp -77.05 -21.94 53.71 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' LYS . 44.1 m-85 -59.81 -47.17 86.79 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -40.29 76.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.75 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.69 -39.71 85.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -78.91 -7.69 58.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 111.103 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -87.9 -15.38 36.83 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.716 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.066 -179.071 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m120 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 121.368 0.604 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.42 3.93 0.61 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.9 67.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.6 -26.75 32.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.493 0.663 . . . . 0.0 110.334 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.089 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.43 -39.46 83.6 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.43 96.59 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.04 61.87 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -52.41 -44.32 65.32 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.32 -25.08 67.45 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.0 -35.86 79.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.715 0.293 . . . . 0.0 111.352 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.3 -34.3 70.41 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.511 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.77 -30.75 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -77.62 -9.3 58.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.112 0.482 . . . . 0.0 110.706 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.0 tp -115.44 -5.9 12.28 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.776 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 58.36 57.45 3.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.672 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 pp -147.71 176.69 9.9 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.33 177.57 6.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.139 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 p -151.13 124.95 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.579 0.228 . . . . 0.0 111.086 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.62 147.56 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 121.082 0.468 . . . . 0.0 112.21 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -121.39 163.39 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.544 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 77.1 m-20 -104.15 120.28 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.35 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.704 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 120.504 0.192 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.6 mm -125.26 111.37 27.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 35.3 mtp-105 -109.45 126.43 53.48 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.9 tp -104.88 111.63 24.45 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.019 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 ttm105 -108.77 125.08 51.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.083 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.68 126.43 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.42 -178.4 5.6 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 51' ' ' ASN . 28.5 t70 -124.0 150.38 44.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.227 0.537 . . . . 0.0 112.165 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.585 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -94.38 11.56 30.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.792 -178.554 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.44 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 23.0 t -118.04 20.38 13.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.82 2.95 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.126 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 65.2 m-80 -147.95 154.8 40.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.71 127.24 56.07 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.4 mm -102.43 -62.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -174.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -166.22 167.89 15.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.705 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 m -151.86 142.3 22.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.231 0.612 . . . . 0.0 109.686 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 m -151.73 150.94 30.77 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.57 0.224 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -120.37 124.02 44.51 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.23 119.57 38.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -154.33 129.64 9.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.607 -1.256 . . . . 0.0 107.607 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.525 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.9 t-80 -171.41 -166.95 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.396 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.525 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -61.11 167.33 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 124.381 1.072 . . . . 0.0 109.997 174.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' HG11 ' A' ' 65' ' ' VAL . 24.5 t70 -36.66 142.37 0.1 Allowed 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -39.4 -24.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.853 2.061 . . . . 0.0 114.972 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.4 -50.55 67.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 62' ' ' ASP . 14.8 p -75.3 -33.62 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-O 121.161 0.505 . . . . 0.0 111.753 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.8 -56.57 16.26 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -172.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.76 -25.39 62.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.94 -42.02 93.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.761 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.02 -35.78 78.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.265 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.26 -41.78 98.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.9 t -67.5 -37.77 83.33 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.273 0.559 . . . . 0.0 110.665 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.22 -27.57 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.448 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 83.2 t90 -73.94 -44.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.623 -175.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.04 -47.98 78.06 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.36 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.423 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 40.5 m-80 -61.27 -32.72 72.54 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.978 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 3.3 t60 -55.42 -41.0 72.17 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.6 ptp -77.05 -21.35 54.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.575 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 39.5 m-85 -55.87 -50.99 69.11 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.48 -41.28 98.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.02 0.438 . . . . 0.0 111.472 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.74 -30.63 67.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.491 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.1 mt -92.92 -2.7 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.7 mttt -85.5 -49.15 8.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.832 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.3 m120 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 121.052 0.453 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.74 10.27 6.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.53 70.36 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.27 -28.87 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.56 -46.95 85.81 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.384 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -59.98 -35.08 74.24 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.118 0.567 . . . . 0.0 112.478 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.87 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.844 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.02 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 m -67.07 -42.92 83.87 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.711 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.25 -30.46 69.45 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.367 0.604 . . . . 0.0 110.985 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -62.71 -33.62 75.48 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.498 HD21 ' OH ' ' A' ' 78' ' ' TYR . 91.8 mt -53.1 -48.56 67.71 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.23 0.331 . . . . 0.0 111.631 -173.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.53 -30.51 70.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 111.272 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.2 -32.84 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.633 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.6 tp -111.12 5.75 20.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.972 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 71.37 42.15 0.71 Allowed 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.137 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.93 166.7 22.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.962 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.08 151.36 28.25 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.399 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.91 138.32 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -116.24 140.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 120.928 0.394 . . . . 0.0 110.271 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -119.82 156.33 30.87 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.066 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.55 136.22 30.91 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 123.368 0.417 . . . . 0.0 109.996 -178.015 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 p . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.67 135.01 29.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.898 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.17 136.07 53.92 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.657 0.265 . . . . 0.0 111.238 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -108.2 124.6 50.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.288 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -121.93 123.58 42.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.283 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.8 mm -97.43 132.33 42.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -132.83 145.47 51.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.58 162.11 19.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.61 6.44 27.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -117.42 20.32 13.64 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.07 -33.77 4.55 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.554 -0.748 . . . . 0.0 113.204 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 153.52 2.5 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.37 0.605 . . . . 0.0 112.451 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -107.73 137.14 46.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.86 -61.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -164.87 169.54 16.46 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.382 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -145.05 141.31 28.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.379 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 136.35 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 110.707 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.2 m -120.22 128.79 53.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.673 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.84 131.42 55.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -141.88 110.72 6.2 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.557 0.694 . . . . 0.0 112.081 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -160.98 141.74 11.45 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -94.31 76.77 3.94 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 117.795 -1.562 . . . . 0.0 111.877 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 18.0 t70 -146.52 117.92 7.93 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.211 171.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -57.75 -49.39 76.73 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.97 -48.72 62.46 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 69' ' ' MET . 72.0 t -60.38 -42.84 92.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.151 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -56.52 -56.83 16.31 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.716 0.293 . . . . 0.0 110.744 -174.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -58.39 -45.18 88.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.58 -44.94 95.05 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.813 0.34 . . . . 0.0 111.606 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 73.2 mtm -55.33 -42.35 73.65 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.157 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.65 -40.4 92.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 t -76.49 -34.76 58.64 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.34 -51.41 67.73 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.457 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 93.0 t90 -57.36 -35.85 70.46 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.95 -43.66 95.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 111.282 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.67 -35.99 82.82 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.814 0.816 . . . . 0.0 109.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.457 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 7.6 t60 -56.29 -30.85 63.04 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.204 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtp -64.05 -40.06 95.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.397 0.618 . . . . 0.0 110.454 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.498 ' OH ' HD21 ' A' ' 19' ' ' LEU . 95.2 m-85 -64.05 -38.12 89.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.67 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.19 -22.88 67.16 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.544 -176.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -95.18 -41.7 8.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.111 0.481 . . . . 0.0 110.664 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.55 -33.04 74.24 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.428 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.41 -36.87 85.25 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.905 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.549 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.246 0.546 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.33 175.54 38.78 Favored Glycine 0 N--CA 1.438 -1.228 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.382 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -130.07 130.46 44.92 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.704 0.287 . . . . 0.0 110.357 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.82 162.91 16.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.983 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -128.52 121.81 29.69 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.384 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -160.38 167.81 26.56 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.644 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.66 -43.03 99.81 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.569 -0.348 . . . . 0.0 113.858 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -69.16 -13.81 62.63 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 117.319 0.56 . . . . 0.0 111.131 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 77.4 mt -90.71 -0.8 57.82 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.145 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.89 72.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.008 0.432 . . . . 0.0 110.936 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.5 -49.01 78.9 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.89 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 35.1 mmtp -52.82 -37.03 59.42 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.6 76.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.04 74.01 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -50.21 -39.58 44.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -58.7 -31.67 68.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.905 0.384 . . . . 0.0 111.519 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.32 -35.98 76.49 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.096 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.26 -45.55 83.88 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.235 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.26 -42.0 96.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.324 . . . . 0.0 111.265 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.94 -10.41 58.48 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.5 tp -108.88 -1.8 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 t70 63.53 57.38 1.47 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.825 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.68 175.12 9.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.988 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.16 149.66 48.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.614 0.245 . . . . 0.0 110.413 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -146.22 137.33 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.621 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -135.32 137.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.029 0.442 . . . . 0.0 110.631 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.96 151.79 30.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.28 122.15 37.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.334 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 31' ' ' TRP . 2.0 t70 -154.29 135.08 13.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.836 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.401 ' HB3' ' O ' ' A' ' 30' ' ' ASP . 75.2 t-105 95.84 -3.6 0.07 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.668 1.187 . . . . 0.0 110.572 175.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -117.38 130.34 56.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.852 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -151.81 166.62 30.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.363 -0.38 . . . . 0.0 109.992 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.51 -116.18 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.186 0.303 . . . . 0.0 111.641 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -95.57 -17.36 21.45 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.2 p -74.14 -32.38 63.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 56.21 61.51 2.7 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.035 0.445 . . . . 0.0 111.389 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.495 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 1.5 tpmt? -125.88 138.96 53.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -67.26 139.92 57.35 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 p -164.86 159.37 18.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.694 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.0 mm -120.88 106.8 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -107.29 126.47 52.47 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.584 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -115.36 125.55 53.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -126.77 136.29 52.2 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.906 0.384 . . . . 0.0 111.851 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.408 HG13 ' HE1' ' A' ' 77' ' ' MET . 31.0 mm -116.38 137.96 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.95 172.0 19.24 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.59 0.632 . . . . 0.0 110.78 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.621 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 35.0 t70 -86.54 -159.87 0.52 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.741 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.621 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -100.94 -35.25 9.46 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.476 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 23.3 t -85.84 -55.53 3.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.182 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.18 -31.1 0.04 OUTLIER Glycine 0 C--N 1.332 0.331 0 C-N-CA 119.275 -1.44 . . . . 0.0 114.52 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.4 111.55 0.81 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 117.293 0.547 . . . . 0.0 111.829 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.523 HD22 ' H ' ' A' ' 52' ' ' LEU . 2.1 pt? -79.45 141.21 36.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.385 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.2 mm -97.8 -61.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.617 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -170.55 172.3 6.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.55 0.214 . . . . 0.0 110.63 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -153.75 153.39 32.12 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 t -150.64 143.13 24.39 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.7 m -117.75 129.15 55.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -113.77 128.81 56.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -150.51 126.5 10.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.624 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.4 t-80 -173.63 -156.62 0.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -172.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.624 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 8.3 t-80 -61.55 166.35 4.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.605 0.762 . . . . 0.0 109.457 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -40.69 179.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.13 74.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 113.777 -1.556 . . . . 0.0 114.133 -168.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.47 -54.53 45.77 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.804 0.335 . . . . 0.0 111.523 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.491 HG13 ' HB3' ' A' ' 61' ' ' HIS . 9.9 p -67.37 -35.1 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -57.87 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.851 0.358 . . . . 0.0 110.307 -177.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.19 -36.73 73.53 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.78 -46.98 86.27 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.913 0.387 . . . . 0.0 110.17 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 74.5 mtm -60.41 -44.22 95.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.427 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.8 m -62.97 -50.78 69.43 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.0 t -65.31 -31.82 73.16 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.745 0.307 . . . . 0.0 111.249 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.92 -52.87 62.31 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.058 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.54 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 60.3 t90 -63.02 -36.69 84.39 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.955 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.587 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 27.1 t-20 -67.24 -30.52 70.45 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.315 0.579 . . . . 0.0 110.373 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.54 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 4.1 t60 -55.7 -43.72 76.71 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.025 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.408 ' HE1' HG13 ' A' ' 45' ' ' ILE . 20.7 ptp -76.98 -21.57 54.51 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 75' ' ' ASN . 13.4 m-85 -53.26 -56.36 17.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.28 -43.4 98.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.181 0.515 . . . . 0.0 111.544 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.9 -42.16 75.6 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.953 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.98 -8.67 58.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.87 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 65.6 mttm -83.84 -15.79 46.93 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.242 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -89.03 -36.86 15.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 110.671 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -88.29 125.39 34.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.3 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.268 2.057 0 C-N-CA 124.989 1.316 . . . . 0.0 113.374 179.606 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.982 0.42 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.6 56.98 0.6 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -65.19 -36.16 83.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 0.0 111.309 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.7 mt -108.79 142.42 39.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.797 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -124.42 -24.46 4.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.749 0.309 . . . . 0.0 111.561 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 t -159.89 173.55 15.77 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.75 -24.45 23.82 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.466 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -143.63 -9.37 0.73 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.852 0.358 . . . . 0.0 110.663 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 mt -101.49 8.93 41.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.3 70.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.808 0.337 . . . . 0.0 111.233 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.37 -27.09 32.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 0.0 110.944 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.34 -44.38 97.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.77 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -60.71 -37.79 82.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.857 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.19 79.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.03 0.443 . . . . 0.0 110.525 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.37 -24.71 46.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.225 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.49 ' HA ' HD12 ' A' ' 19' ' ' LEU . 96.4 m -58.93 -42.3 89.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.961 0.504 . . . . 0.0 112.344 -177.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.56 -39.95 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.119 0.485 . . . . 0.0 110.888 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -53.89 -37.38 63.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.464 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 16' ' ' THR . 8.3 mp -61.02 -43.57 98.69 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.05 0.453 . . . . 0.0 110.455 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.51 -42.16 99.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.386 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -57.4 -50.3 73.45 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.12 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.42 4.34 35.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.94 57.47 2.57 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.337 0.589 . . . . 0.0 111.222 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 pp -141.61 176.63 8.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.639 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.78 160.98 41.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.506 0.193 . . . . 0.0 110.776 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.41 147.84 31.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -130.63 138.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -116.74 127.83 54.74 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.427 0.632 . . . . 0.0 111.498 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.26 148.74 31.29 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.48 118.84 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -164.0 137.51 5.4 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -101.25 81.41 2.21 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -113.18 -28.88 7.48 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.446 -176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -65.07 100.34 0.43 Allowed 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.415 0.626 . . . . 0.0 112.209 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -52.44 -48.01 66.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.173 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -91.27 0.26 57.55 Favored 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 99.7 mtt180 -132.81 176.81 8.14 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.517 -0.739 . . . . 0.0 111.944 -176.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -149.88 126.73 11.1 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.495 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -144.19 -176.5 5.04 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.3 t -144.43 -85.73 0.13 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.75 120.13 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.706 0.289 . . . . 0.0 110.858 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -120.59 116.91 26.27 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.28 128.57 44.25 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -127.68 121.97 31.77 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.748 0.309 . . . . 0.0 111.595 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.3 mm -108.39 130.66 60.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -151.52 145.92 25.52 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.77 170.7 10.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.391 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.1 12.3 1.2 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.206 0.527 . . . . 0.0 111.356 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -132.83 162.02 32.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.784 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.17 56.37 1.1 Allowed Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.05 -16.31 13.09 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.24 99.49 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 123.735 0.814 . . . . 0.0 112.815 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.29 -65.65 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.3 164.98 13.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.561 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.8 p -143.48 141.99 31.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.375 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 m -144.64 130.67 19.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.591 0.234 . . . . 0.0 111.037 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.9 m -112.01 129.22 56.27 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.25 125.78 41.54 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -160.44 119.55 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.144 172.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.416 ' CD2' ' H ' ' A' ' 61' ' ' HIS . 11.5 t60 -167.99 -133.88 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.301 -175.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.416 ' H ' ' CD2' ' A' ' 60' ' ' HIS . 1.4 t-80 -62.65 167.08 4.73 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.309 1.044 . . . . 0.0 110.977 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -39.78 170.17 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.679 1.192 . . . . 0.0 112.636 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.96 -23.23 61.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.744 -165.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.4 -50.99 70.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.212 0.53 . . . . 0.0 109.6 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.71 -43.27 80.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.292 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -46.46 90.6 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.06 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -71.78 -43.11 66.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.515 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -57.8 -41.96 83.22 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.62 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.3 mtm -66.16 -46.8 76.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.637 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.41 -57.58 11.26 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -51.3 -37.82 49.56 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.82 -54.91 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -54.05 -39.64 66.4 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.2 -49.94 75.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.567 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -66.69 -26.61 67.11 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.982 0.42 . . . . 0.0 112.034 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -41.73 76.65 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.4 -22.27 57.58 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -60.16 -43.75 95.54 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -62.47 -40.1 95.56 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.667 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.03 -41.43 99.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.574 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.13 -40.21 89.0 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -92.1 15.41 13.49 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.938 0.399 . . . . 0.0 111.353 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -109.76 110.16 21.08 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.623 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.269 2.114 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.677 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.747 0.308 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.1 -158.88 27.85 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -73.99 109.42 7.47 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -94.27 117.07 29.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.917 0.389 . . . . 0.0 110.348 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.429 ' C ' ' HG ' ' A' ' 6' ' ' SER . 90.8 m-85 -66.46 -47.28 73.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.089 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.429 ' HG ' ' C ' ' A' ' 5' ' ' TYR . 21.6 m -161.19 166.61 27.54 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.51 -9.33 86.08 Favored Glycine 0 N--CA 1.468 0.785 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.896 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -108.28 -13.5 14.88 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.374 0.607 . . . . 0.0 110.204 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.55 0.53 13.35 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.985 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.97 62.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.89 26.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.152 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.37 -56.51 21.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.349 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.33 -36.32 83.75 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.52 83.97 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.15 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -62.66 -39.31 93.52 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 111.209 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -57.71 -36.15 71.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.685 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.18 -35.09 79.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.186 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.88 -41.24 74.12 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.694 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -61.04 -41.87 97.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.138 0.494 . . . . 0.0 110.481 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.59 -25.8 66.79 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -112.14 1.29 16.19 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.936 0.789 . . . . 0.0 110.474 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 71.79 38.53 0.94 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.471 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.6 mt -115.52 163.37 15.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.134 0.492 . . . . 0.0 111.876 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.67 162.83 37.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.916 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -146.09 138.45 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.4 pt -128.14 132.03 68.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 110.706 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -103.6 143.45 32.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 8.8 m-20 -80.84 168.71 18.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.346 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -126.98 151.42 48.57 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.705 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -143.41 94.15 2.57 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.695 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -97.14 -14.0 21.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.858 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.17 141.33 40.17 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.123 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.6 78.95 0.27 Allowed 'General case' 0 CA--C 1.52 -0.189 0 O-C-N 123.89 0.744 . . . . 0.0 109.668 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -95.07 -1.76 51.49 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.101 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 p -67.6 34.68 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -172.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 95.0 35.41 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 124.627 1.171 . . . . 0.0 112.372 174.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -156.33 106.53 2.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.836 0.351 . . . . 0.0 110.757 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -108.12 161.9 14.55 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.821 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.4 m -137.15 158.4 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.035 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -144.65 133.52 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 43.5 ttm180 -125.3 140.17 53.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.748 0.308 . . . . 0.0 110.988 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.99 115.74 30.75 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -116.02 125.29 52.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.398 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mm -114.91 129.38 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -132.86 167.12 20.78 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.789 0.328 . . . . 0.0 110.781 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -102.85 147.61 26.68 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.803 0.811 . . . . 0.0 111.759 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -72.52 12.56 0.46 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.493 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 t -131.97 19.41 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.841 0.829 . . . . 0.0 108.891 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.1 -29.93 10.85 Favored Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.174 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.64 172.83 0.63 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.402 0.62 . . . . 0.0 112.459 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -127.03 144.69 50.96 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.45 -61.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.335 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -164.95 167.13 18.85 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -152.48 147.64 26.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -150.43 142.94 24.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -121.75 131.42 54.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.051 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -126.65 137.81 53.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.355 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -146.25 126.8 14.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -172.25 134.51 0.71 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -87.95 77.37 8.48 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.849 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 13.2 t70 -147.17 112.24 5.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.54 172.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -59.61 -44.9 93.26 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.16 -55.71 9.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.09 0.472 . . . . 0.0 112.114 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.62 -39.47 83.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.319 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -55.77 -56.51 19.71 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.87 -38.27 90.18 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -60.41 -47.36 86.44 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.912 0.386 . . . . 0.0 110.705 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.89 -42.06 92.98 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.724 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.2 m -66.42 -44.8 81.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 t -73.58 -29.4 62.38 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.679 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.65 -52.12 65.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.468 ' O ' ' HD2' ' A' ' 76' ' ' HIS . 68.6 t90 -57.18 -31.45 65.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.23 -38.07 87.79 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.189 0.518 . . . . 0.0 111.356 -176.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -64.17 -37.46 87.56 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.468 ' HD2' ' O ' ' A' ' 73' ' ' TRP . 0.0 OUTLIER -61.81 -31.74 71.99 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -173.386 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ptp -76.71 -22.24 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -59.87 -58.12 9.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.95 -45.25 82.46 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -49.62 -39.36 35.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.72 -46.38 85.68 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.252 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -39.37 79.65 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.673 0.273 . . . . 0.0 111.211 175.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.52 -38.59 91.7 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.926 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -130.72 50.73 2.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.771 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.266 1.957 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.877 177.88 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.949 0.405 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.94 -68.7 1.55 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.228 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.35 146.0 28.34 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -133.13 162.61 31.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.175 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -146.46 -71.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.909 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -78.74 159.64 27.84 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.881 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.17 147.38 45.92 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.309 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -175.47 -44.97 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 111.448 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.7 mt -66.23 -25.81 67.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.877 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.84 73.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.763 0.315 . . . . 0.0 110.647 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -40.52 71.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.042 0.449 . . . . 0.0 110.81 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.89 -47.99 83.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.503 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 57.3 mtmt -60.55 -36.78 79.3 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.22 62.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.07 68.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.725 0.298 . . . . 0.0 111.768 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -59.36 -45.65 90.82 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.04 -176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.94 -34.5 78.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.038 0.447 . . . . 0.0 111.063 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -71.84 -38.09 70.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.48 -43.47 98.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.252 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.05 -42.0 97.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.416 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.66 -11.82 19.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -112.2 -0.64 15.46 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.663 1.119 . . . . 0.0 109.499 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 68.01 57.18 0.51 Allowed 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.694 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -136.68 167.53 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.087 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.1 152.5 35.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.897 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.48 131.19 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.785 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -133.42 131.45 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 112.065 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -124.24 158.78 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.361 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -143.28 145.58 32.86 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -149.82 118.32 6.51 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.622 0.576 . . . . 0.0 110.786 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -130.68 103.31 6.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.933 0.397 . . . . 0.0 110.746 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -104.03 124.84 49.76 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.29 -39.14 82.19 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.3 167.73 13.94 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 121.626 -0.671 . . . . 0.0 110.28 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -92.76 -11.96 32.53 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 p -98.14 1.81 47.89 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -101.87 160.92 14.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.382 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HZ1' ' CG ' ' A' ' 39' ' ' ASP . 30.0 tptp -77.84 144.61 36.89 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.65 -178.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.507 ' CG ' ' HZ1' ' A' ' 38' ' ' LYS . 5.0 p-10 -74.0 169.7 16.94 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.463 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 p -142.87 152.67 42.37 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.955 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -137.34 117.73 16.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.298 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG2' HG23 ' A' ' 57' ' ' THR . 70.2 mtp180 -108.97 132.01 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.33 116.33 27.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -115.45 132.02 56.75 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 111.627 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.8 mm -118.89 131.46 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 116.328 -0.397 . . . . 0.0 109.961 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 52' ' ' LEU . 43.2 mt-10 -148.9 170.39 18.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.589 0.233 . . . . 0.0 110.406 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 36.3 t70 -75.4 -170.49 1.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.607 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 1.8 mpp_? -98.56 -37.38 9.57 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -86.51 -72.84 0.48 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.66 72.61 0.15 Allowed Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.651 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.69 114.69 4.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.805 0.336 . . . . 0.0 110.287 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 2.3 pt? -72.73 140.09 47.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.991 0.424 . . . . 0.0 110.996 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.87 -61.95 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -164.12 165.23 22.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.55 0.214 . . . . 0.0 110.677 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.1 p -140.06 129.42 23.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.077 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.4 t -139.41 137.9 36.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 0.0 111.562 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 42' ' ' ARG . 99.4 m -120.45 124.23 44.93 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.938 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -109.01 116.64 32.39 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 23.0 p90 -159.45 122.42 3.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 71.7 t60 -179.56 -70.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 120.546 -0.462 . . . . 0.0 112.078 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.28 163.81 17.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.436 -174.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 63' ' ' GLU . 33.5 t70 -42.74 172.94 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.789 1.236 . . . . 0.0 113.629 -177.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.535 ' H ' ' CG ' ' A' ' 62' ' ' ASP . 14.5 pt-20 -61.77 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.839 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.43 -55.59 31.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.262 0.553 . . . . 0.0 110.56 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.68 -41.61 80.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.708 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -57.18 14.02 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.595 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -64.49 -34.37 78.06 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.67 -45.04 90.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.253 0.549 . . . . 0.0 109.669 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.0 mtm -62.93 -40.26 97.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.951 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.84 -47.35 75.26 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -62.56 -40.27 96.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.92 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.09 -25.66 66.33 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.505 0.669 . . . . 0.0 110.825 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.428 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 70.7 t90 -73.29 -44.03 59.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.31 -171.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.64 -45.9 67.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.828 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -60.72 -29.23 69.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 2.7 t60 -57.26 -43.17 82.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.831 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.7 ptp -79.06 -21.3 47.0 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -57.65 -48.01 80.67 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.58 -44.51 96.89 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -173.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.81 -35.91 69.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.219 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.52 -5.86 59.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.271 0.558 . . . . 0.0 111.018 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -85.32 -13.62 49.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.417 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.68 1.05 35.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.267 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -124.98 84.48 2.29 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.263 1.798 0 CA-C-O 117.877 -1.059 . . . . 0.0 112.789 -174.474 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.961 0.41 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.33 -42.23 97.83 Favored Glycine 0 CA--C 1.521 0.461 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.454 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.99 139.21 41.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.781 0.324 . . . . 0.0 111.013 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 4' ' ' LEU . 1.9 pt? -136.93 145.62 44.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.392 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -111.21 147.24 35.42 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.776 0.322 . . . . 0.0 111.462 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -82.72 144.24 30.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.51 -34.18 2.72 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.612 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -88.1 -13.44 41.39 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.357 0.598 . . . . 0.0 110.517 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.76 -2.53 11.37 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -51.4 70.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.33 -34.36 25.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.09 0.472 . . . . 0.0 110.55 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -57.38 -48.42 79.1 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.084 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -62.84 -33.41 75.19 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.89 79.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.96 79.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.704 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 m -58.45 -40.88 83.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.867 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -62.82 -31.66 72.71 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -68.68 -36.49 78.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -57.03 -33.27 67.03 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.056 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.55 -33.62 72.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -76.7 -15.04 59.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.06 -3.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.27 56.19 5.32 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 123.449 0.468 . . . . 0.0 111.328 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 pp -147.51 172.54 13.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.402 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.3 151.64 31.15 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -116.86 130.18 72.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.034 0.445 . . . . 0.0 111.885 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.2 pt -108.19 138.1 36.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -107.78 148.59 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.501 . . . . 0.0 111.889 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.3 125.07 31.85 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.337 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -145.63 115.49 7.34 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.114 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.3 p90 168.15 22.12 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.546 1.138 . . . . 0.0 110.054 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -102.24 121.88 43.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.69 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 60.8 102.59 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.633 0.773 . . . . 0.0 112.063 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 37' ' ' ARG . . . -168.19 86.8 0.21 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.993 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.45 ' CD2' HG21 ' A' ' 36' ' ' THR . 69.1 t80 -64.54 -67.67 0.42 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.711 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 35' ' ' TYR . 10.7 p -117.5 -9.11 10.9 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.657 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 24.3 ptt-85 -96.32 -174.95 3.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -177.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -149.42 70.12 1.07 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -140.05 98.06 3.37 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.2 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 p -176.87 121.53 0.13 Allowed 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -139.88 125.27 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -113.53 134.59 54.61 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.59 0.233 . . . . 0.0 111.573 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.44 110.2 22.34 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -106.35 125.9 51.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.036 0.446 . . . . 0.0 111.539 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.8 mm -106.12 126.56 61.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -139.89 144.98 37.45 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.84 154.28 36.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.354 0.597 . . . . 0.0 111.305 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.79 -30.7 63.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.826 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -92.43 22.66 4.42 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.824 -0.547 . . . . 0.0 111.33 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.87 55.48 9.46 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.863 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -135.94 135.59 39.74 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.7 pt? -73.66 147.89 43.3 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 122.203 -0.311 . . . . 0.0 110.518 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.45 -44.61 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.412 ' OD2' ' HZ2' ' A' ' 73' ' ' TRP . 41.0 t0 -176.66 173.51 1.98 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.307 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -148.26 143.7 27.15 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.487 0.315 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.5 m -150.03 143.0 24.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.464 0.173 . . . . 0.0 110.728 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.6 m -128.75 130.27 46.84 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -127.51 121.11 29.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -151.44 111.15 4.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.101 0.953 . . . . 0.0 113.164 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -171.85 153.74 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -88.28 80.65 7.48 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 119.104 -1.039 . . . . 0.0 112.431 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -144.6 104.05 4.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.711 171.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -49.47 72.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -177.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -37.53 51.51 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.413 -0.915 . . . . 0.0 112.686 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.36 -41.72 91.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.76 -52.76 64.14 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.7 -34.6 78.69 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -57.98 -51.08 71.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.078 0.466 . . . . 0.0 110.605 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.26 -36.64 80.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.05 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.08 -49.38 76.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -72.55 -37.99 68.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.63 -33.09 75.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.141 0.496 . . . . 0.0 111.692 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.412 ' HZ2' ' OD2' ' A' ' 54' ' ' ASP . 78.6 t90 -72.76 -38.18 67.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.685 0.755 . . . . 0.0 110.14 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 77' ' ' MET . 79.4 mt -65.75 -41.68 91.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.593 -177.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.539 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 49.2 t30 -61.53 -37.57 84.21 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.296 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -37.05 73.15 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 74' ' ' LEU . 20.8 ptp -76.53 -21.95 55.05 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 28.9 m-85 -59.09 -51.43 70.08 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.81 -46.8 89.1 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.51 -39.81 85.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.25 2.78 42.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.114 0.483 . . . . 0.0 112.109 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 61.4 mttm -86.04 -14.13 45.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.068 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.76 -38.42 89.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.089 0.471 . . . . 0.0 110.468 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -129.17 94.84 3.9 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.207 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' A' ' 85' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.518 0 CA-C-O 117.293 -1.337 . . . . 0.0 110.955 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptp . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.159 0.504 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.22 32.05 56.43 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.28 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -79.01 94.24 5.25 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.962 0.41 . . . . 0.0 111.855 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.79 129.81 55.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.877 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -117.96 -43.59 2.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.793 0.33 . . . . 0.0 110.987 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -88.17 -179.18 6.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.429 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.07 -131.81 6.27 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.391 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 69.4 3.85 4.36 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.506 0.722 . . . . 0.0 111.731 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.39 6.38 37.67 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -53.25 57.71 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.42 -27.87 29.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.368 0.604 . . . . 0.0 110.618 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -58.24 -46.49 85.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.583 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -62.35 -33.82 75.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.23 -26.94 53.14 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -24.29 67.69 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 m -59.03 -42.56 90.48 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.51 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.49 -36.47 82.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.135 0.493 . . . . 0.0 111.007 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.36 -35.78 74.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.378 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD22 ' OH ' ' A' ' 78' ' ' TYR . 91.3 mt -58.75 -42.68 89.43 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.951 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.86 -31.07 72.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.434 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.88 -44.34 74.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.1 tp -107.7 12.12 27.78 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 65.52 58.42 0.83 Allowed 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.222 0.534 . . . . 0.0 112.277 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 4.3 pp -145.51 171.23 14.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.86 -179.46 6.71 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.495 0.183 . . . . 0.0 111.495 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 p -147.44 139.35 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.634 0.373 . . . . 0.0 110.302 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -129.78 141.1 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -125.28 152.9 44.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.454 ' OD2' ' HD2' ' A' ' 42' ' ' ARG . 35.0 m-20 -114.98 136.46 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.924 -177.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -148.11 116.19 6.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.594 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 10.9 t90 48.87 77.33 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.41 0.684 . . . . 0.0 112.759 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -95.94 -80.36 0.43 Allowed 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.674 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -148.09 50.95 1.03 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.33 170.54 15.78 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.461 -0.774 . . . . 0.0 110.032 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -70.58 -3.65 19.2 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.299 0.64 . . . . 0.0 112.459 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -84.54 35.18 0.54 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 -175.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.594 ' HA ' ' CD1' ' A' ' 31' ' ' TRP . 4.9 tmm_? -36.25 -32.54 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.769 1.628 . . . . 0.0 113.961 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -176.3 0.26 Allowed 'General case' 0 CA--C 1.555 1.163 0 CA-C-O 121.279 0.562 . . . . 0.0 112.34 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.25 122.75 19.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 p -154.71 139.06 16.7 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.5 mt -133.69 128.57 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-O 120.667 0.27 . . . . 0.0 111.319 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HD2' ' OD2' ' A' ' 29' ' ' ASP . 31.7 ttm180 -124.99 136.22 53.52 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.836 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.81 121.49 43.76 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.718 0.407 . . . . 0.0 110.448 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -116.55 119.97 37.26 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.95 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.44 HG13 ' HE3' ' A' ' 77' ' ' MET . 47.5 mm -108.77 130.09 62.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 176.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.5 160.05 43.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.99 163.45 17.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -80.44 12.58 2.93 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 123.267 0.627 . . . . 0.0 112.455 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -116.86 15.57 15.26 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.988 0.423 . . . . 0.0 109.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.18 3.85 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.621 -0.799 . . . . 0.0 111.504 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -153.56 115.91 4.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.74 140.34 49.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.633 0.254 . . . . 0.0 110.555 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.1 mm -101.58 -51.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.739 0.305 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -164.85 166.55 19.56 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -148.54 147.12 28.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.661 0.385 . . . . 0.0 110.542 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.6 t -147.91 139.87 24.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.2 m -128.74 138.43 52.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -122.21 138.95 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.627 0.251 . . . . 0.0 111.246 -177.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 88.5 m-85 -132.72 125.76 30.96 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 6.6 t-80 170.4 121.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -77.75 78.46 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.191 -1.404 . . . . 0.0 110.303 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.655 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 1.1 m-20 -144.66 123.0 12.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.938 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.22 -58.62 4.99 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 120.844 0.354 . . . . 0.0 111.644 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.99 -43.99 77.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.063 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 62' ' ' ASP . 87.3 t -62.42 -44.31 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.538 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.655 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -60.62 -53.18 60.64 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.804 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -59.92 -43.59 94.81 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -56.76 -43.14 80.5 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.583 0.23 . . . . 0.0 111.474 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.8 mtm -68.56 -41.08 80.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.236 0.541 . . . . 0.0 111.24 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.09 -38.18 82.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -173.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -74.56 -32.07 62.3 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -172.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -60.81 -53.3 58.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.534 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 81.2 t90 -55.61 -30.62 61.23 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.52 -44.75 95.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.735 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -75.39 -21.62 58.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.553 0.692 . . . . 0.0 110.639 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 5.8 t60 -56.64 -43.17 80.01 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.921 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.44 ' HE3' HG13 ' A' ' 45' ' ' ILE . 17.8 ptp -67.15 -32.9 74.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.61 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 74.3 m-85 -59.07 -43.84 91.79 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.89 -30.5 70.91 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.95 -39.47 26.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.2 mt -78.5 -19.03 53.89 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.8 mttt -62.71 -35.26 79.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.537 0.208 . . . . 0.0 111.543 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -63.35 -37.6 87.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 111.612 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -133.21 98.06 4.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.516 0.674 . . . . 0.0 111.326 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt . . . . . 0 C--O 1.264 1.817 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.711 -179.504 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.993 0.425 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.71 -4.86 75.36 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.997 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -65.88 -41.81 91.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 110.634 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.1 mt -98.64 151.01 21.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.988 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -106.52 133.54 51.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.672 0.272 . . . . 0.0 110.936 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' H ' ' HE3' ' A' ' 13' ' ' LYS . 2.6 m -151.39 157.88 43.0 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.31 -174.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.19 -19.19 39.95 Favored Glycine 0 N--CA 1.464 0.529 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.43 ' C ' ' H ' ' A' ' 10' ' ' ALA . 78.9 m-20 -76.66 -80.56 0.09 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.382 -0.909 . . . . 0.0 110.035 177.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.685 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 97.3 mt -61.9 10.57 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -53.06 -52.45 58.49 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.448 0.567 . . . . 0.0 112.482 -175.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.77 83.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.386 0.612 . . . . 0.0 110.808 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.17 -43.53 78.45 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.685 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 65.3 mttm -55.49 -35.06 65.15 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -29.17 65.21 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.49 -23.51 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.9 m -57.05 -47.29 81.32 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -66.99 -34.96 78.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.035 0.445 . . . . 0.0 111.63 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -70.93 -35.51 72.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -54.66 -37.07 65.27 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.225 0.61 . . . . 0.0 112.22 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -60.88 -34.38 74.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 111.09 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -76.8 -9.42 58.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -110.4 -6.56 14.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.508 0.67 . . . . 0.0 110.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 62.89 48.32 4.05 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.926 172.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.17 171.26 15.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.5 -179.04 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.055 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -149.73 143.07 17.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.386 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.87 136.72 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.032 0.444 . . . . 0.0 111.044 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -116.11 152.48 33.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -126.51 127.46 45.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.338 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -159.92 129.77 5.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.941 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -163.36 3.84 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.05 0.452 . . . . 0.0 110.989 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -89.99 157.46 17.82 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.938 0.399 . . . . 0.0 111.756 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.02 -158.41 0.32 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.183 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.84 75.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 -175.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.09 -47.18 68.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.798 0.332 . . . . 0.0 110.722 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.1 p -107.9 25.44 11.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 68.9 94.45 0.07 Allowed 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.174 0.59 . . . . 0.0 111.181 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -101.91 -60.38 1.54 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 66.04 94.58 0.06 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.14 128.47 36.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.714 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.92 125.86 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.825 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.426 ' HG2' HG21 ' A' ' 57' ' ' THR . 60.9 mtp180 -107.14 128.92 54.83 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.918 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 tp -109.98 111.06 22.22 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' HE ' ' CD ' ' A' ' 46' ' ' GLU . 25.9 ttt180 -110.95 128.55 55.87 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.4 mm -108.83 127.86 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.474 ' CD ' ' HE ' ' A' ' 44' ' ' ARG . 56.5 mt-10 -149.36 167.4 26.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.086 0.47 . . . . 0.0 111.769 178.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' HB3' ' HB3' ' A' ' 51' ' ' ASN . 28.1 t70 -90.78 169.09 11.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.249 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -96.03 9.45 40.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.2 t -132.66 36.3 3.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.818 -0.551 . . . . 0.0 111.498 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 57.94 4.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.607 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 47.1 t30 -151.9 105.74 3.14 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 3.7 pp -75.25 146.05 41.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.77 -51.99 7.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -176.87 176.82 1.4 Allowed 'General case' 0 C--O 1.238 0.455 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -145.14 143.72 30.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.4 t -149.43 143.79 25.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.816 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.426 HG21 ' HG2' ' A' ' 42' ' ' ARG . 85.1 m -128.39 132.31 48.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.58 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.38 114.61 22.08 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.738 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.25 0.547 . . . . 0.0 111.245 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.5 t60 176.53 122.44 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -81.05 80.26 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.627 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 11.8 t70 -143.69 104.36 4.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.358 171.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.84 -50.45 64.53 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.68 -39.75 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -51.9 -56.48 13.82 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.165 -173.184 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.55 -29.47 68.04 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.01 -44.1 97.91 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.8 mtm -66.68 -36.63 82.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.1 m -63.8 -44.86 92.06 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 t -76.04 -33.2 59.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 110.938 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.93 -28.71 69.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.537 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 62.8 t90 -75.22 -37.81 60.95 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.828 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.32 -46.43 76.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.544 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.57 -31.63 72.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.537 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 38.5 t60 -55.64 -44.36 77.1 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.015 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 ptp -78.44 -22.66 47.32 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.604 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 52.4 m-85 -58.05 -46.02 86.07 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.26 -50.56 73.15 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -64.55 -39.97 94.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.587 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 85' ' ' LYS . 97.1 mt -81.64 -1.83 48.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -175.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 97.0 mttt -81.02 -20.53 41.54 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.683 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -104.87 -6.9 19.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -157.84 82.85 0.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.555 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' LEU . 14.5 ptmm? . . . . . 0 C--O 1.263 1.813 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.798 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 ttp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 121.068 0.461 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.94 154.83 16.39 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.969 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HD3' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -133.13 13.88 4.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.862 0.363 . . . . 0.0 111.167 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -122.41 134.24 54.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.944 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -114.74 128.21 56.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -163.94 157.09 18.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.754 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.19 -22.23 70.69 Favored Glycine 0 C--N 1.335 0.497 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -81.76 -6.88 59.45 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.792 0.806 . . . . 0.0 108.883 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -117.95 -9.4 10.61 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.404 -1.271 . . . . 0.0 113.306 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.23 64.88 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.15 -39.55 60.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.163 0.506 . . . . 0.0 111.246 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.37 -51.56 69.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.81 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' O ' ' HB ' ' A' ' 16' ' ' THR . 75.2 mmtt -66.79 -34.69 78.37 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -29.3 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 13' ' ' LYS . 96.6 m -61.31 -44.65 96.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.806 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.09 -27.63 68.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.099 0.476 . . . . 0.0 111.287 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 14.7 mptt -68.94 -34.41 75.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.656 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.38 -37.89 68.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.272 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.11 -41.72 97.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.13 -8.67 56.8 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.436 0.636 . . . . 0.0 111.007 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.1 tp -110.04 -5.53 15.39 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.456 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 60.23 46.2 10.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.086 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -150.04 178.16 9.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.562 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.04 145.63 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.595 0.236 . . . . 0.0 110.583 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -95.64 119.6 43.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 pt -97.2 129.49 47.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.828 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -117.81 157.17 27.07 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.159 0.504 . . . . 0.0 111.318 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' CB ' ' HB2' ' A' ' 42' ' ' ARG . 33.4 t70 -82.02 154.68 25.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.864 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 31' ' ' TRP . 17.7 t70 -164.43 -179.71 6.19 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.423 ' H ' ' CG ' ' A' ' 30' ' ' ASP . 36.9 t90 53.68 151.91 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -175.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CE2' ' HB1' ' A' ' 34' ' ' ALA . 5.8 t80 -149.19 129.99 14.21 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.863 177.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.5 -13.09 61.7 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -92.71 141.02 28.93 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.529 -178.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -86.25 -7.61 58.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.552 . . . . 0.0 110.087 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.0 p -71.79 -10.15 59.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.503 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 47.87 97.9 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.654 1.182 . . . . 0.0 114.156 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -125.32 155.09 40.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.625 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.24 137.48 54.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.072 -175.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 p -171.74 104.51 0.19 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.145 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -127.95 111.76 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.694 0.283 . . . . 0.0 110.4 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HB2' ' CB ' ' A' ' 29' ' ' ASP . 73.8 mtt85 -112.09 135.27 52.96 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.79 111.29 22.36 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.375 0.27 . . . . 0.0 111.516 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -107.35 122.73 47.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.7 0.286 . . . . 0.0 111.103 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.45 127.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.717 0.294 . . . . 0.0 111.127 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -152.28 158.51 42.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.47 158.38 35.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.529 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -74.77 9.36 1.88 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -112.65 6.96 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.44 -18.9 56.07 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 113.432 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -62.56 120.52 11.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.852 0.326 . . . . 0.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' HD11 ' A' ' 52' ' ' LEU . 3.6 pp -69.99 146.69 50.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.312 0.577 . . . . 0.0 112.307 -177.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.7 mm -110.98 -51.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.843 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -173.17 175.46 3.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.094 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -149.67 140.0 22.31 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -142.06 141.67 32.79 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 111.69 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.9 m -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -107.61 114.63 28.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.46 127.99 15.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 172.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.516 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 5.3 t-80 -174.82 -155.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.96 -176.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.516 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 71.8 m-70 -61.7 163.78 6.88 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.015 0.926 . . . . 0.0 110.407 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.478 ' O ' HG11 ' A' ' 65' ' ' VAL . 16.4 t70 -43.16 159.56 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -35.63 -32.58 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.612 1.965 . . . . 0.0 115.862 -175.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -55.97 -43.21 77.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 118.369 0.531 . . . . 0.0 111.352 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.478 HG11 ' O ' ' A' ' 62' ' ' ASP . 8.7 p -73.94 -32.42 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.93 -51.89 67.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -172.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.48 -36.1 82.63 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.02 -43.44 98.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 76.1 mtm -67.94 -38.04 82.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.042 0.449 . . . . 0.0 111.057 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.8 m -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.82 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -73.1 -41.54 63.93 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.662 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.92 -31.2 71.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 111.529 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -75.6 -42.64 51.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.015 0.912 . . . . 0.0 109.124 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.53 -41.41 84.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.628 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -62.99 -36.05 82.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.06 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.72 -42.52 75.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.667 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.8 ptp -77.05 -21.94 53.71 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' LYS . 44.1 m-85 -59.81 -47.17 86.79 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -40.29 76.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.75 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.69 -39.71 85.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -78.91 -7.69 58.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 111.103 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -87.9 -15.38 36.83 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.716 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.59 -23.95 61.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.066 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -108.95 110.42 21.72 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.187 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 C--O 1.261 1.701 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.644 178.026 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.996 0.427 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.71 48.64 3.9 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.167 -0.54 . . . . 0.0 113.132 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -127.96 127.8 43.94 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt -117.14 151.12 37.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.187 0.518 . . . . 0.0 112.136 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -138.0 157.94 45.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.455 176.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -83.06 -76.62 0.27 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.621 0.248 . . . . 0.0 111.501 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.7 54.51 0.57 Allowed Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.525 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -128.32 -61.9 1.06 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.368 0.604 . . . . 0.0 110.387 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.42 3.93 0.61 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.9 67.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.6 -26.75 32.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.493 0.663 . . . . 0.0 110.334 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.089 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.43 -39.46 83.6 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.43 96.59 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.04 61.87 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -52.41 -44.32 65.32 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.32 -25.08 67.45 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.0 -35.86 79.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.715 0.293 . . . . 0.0 111.352 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.3 -34.3 70.41 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.511 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.77 -30.75 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -77.62 -9.3 58.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.112 0.482 . . . . 0.0 110.706 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.0 tp -115.44 -5.9 12.28 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.776 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 58.36 57.45 3.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.672 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 pp -147.71 176.69 9.9 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.33 177.57 6.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.139 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 p -151.13 124.95 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.579 0.228 . . . . 0.0 111.086 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.62 147.56 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 121.082 0.468 . . . . 0.0 112.21 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -121.39 163.39 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.544 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 77.1 m-20 -104.15 120.28 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.35 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.04 -179.69 7.46 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -68.19 153.84 42.93 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.916 0.389 . . . . 0.0 111.703 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -99.08 5.71 46.87 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 61.59 26.95 16.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.996 0.518 . . . . 0.0 111.422 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.66 106.6 13.71 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -50.21 -17.1 0.38 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 174.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -92.62 -3.84 54.31 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.546 0.688 . . . . 0.0 110.172 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -112.65 131.37 55.67 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -106.45 115.47 30.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.474 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -152.87 175.69 12.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.977 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t -157.67 -90.08 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.6 mm -125.26 111.37 27.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 35.3 mtp-105 -109.45 126.43 53.48 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.9 tp -104.88 111.63 24.45 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.019 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 ttm105 -108.77 125.08 51.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.083 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.68 126.43 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.42 -178.4 5.6 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 51' ' ' ASN . 28.5 t70 -124.0 150.38 44.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.227 0.537 . . . . 0.0 112.165 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.585 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -94.38 11.56 30.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.792 -178.554 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.44 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 23.0 t -118.04 20.38 13.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.82 2.95 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.126 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 65.2 m-80 -147.95 154.8 40.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.71 127.24 56.07 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.4 mm -102.43 -62.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -174.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -166.22 167.89 15.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.705 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 m -151.86 142.3 22.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.231 0.612 . . . . 0.0 109.686 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 m -151.73 150.94 30.77 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.57 0.224 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -120.37 124.02 44.51 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.23 119.57 38.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -154.33 129.64 9.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.607 -1.256 . . . . 0.0 107.607 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.525 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.9 t-80 -171.41 -166.95 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.396 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.525 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -61.11 167.33 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 124.381 1.072 . . . . 0.0 109.997 174.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' HG11 ' A' ' 65' ' ' VAL . 24.5 t70 -36.66 142.37 0.1 Allowed 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -39.4 -24.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.853 2.061 . . . . 0.0 114.972 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.4 -50.55 67.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 62' ' ' ASP . 14.8 p -75.3 -33.62 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-O 121.161 0.505 . . . . 0.0 111.753 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.8 -56.57 16.26 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -172.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.76 -25.39 62.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.94 -42.02 93.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.761 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.02 -35.78 78.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.265 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.26 -41.78 98.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.9 t -67.5 -37.77 83.33 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.273 0.559 . . . . 0.0 110.665 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.22 -27.57 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.448 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 83.2 t90 -73.94 -44.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.623 -175.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.04 -47.98 78.06 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.36 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.423 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 40.5 m-80 -61.27 -32.72 72.54 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.978 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 3.3 t60 -55.42 -41.0 72.17 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.6 ptp -77.05 -21.35 54.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.575 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 39.5 m-85 -55.87 -50.99 69.11 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.48 -41.28 98.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.02 0.438 . . . . 0.0 111.472 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 84' ' ' TRP . 96.3 mt-30 -58.74 -30.63 67.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.491 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.1 mt -92.92 -2.7 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.7 mttt -85.5 -49.15 8.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -134.9 42.65 2.78 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.44 ' HB3' ' O ' ' A' ' 80' ' ' GLN . 13.4 p-90 -81.77 47.83 1.13 Allowed 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.973 -1.079 . . . . 0.0 111.688 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.5 pttt . . . . . 0 C--O 1.262 1.743 0 C-N-CA 124.979 1.311 . . . . 0.0 113.856 177.134 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.618 ' HB2' ' O ' ' A' ' 31' ' ' TRP . 97.7 mmm . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.565 0.222 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.89 -174.06 13.28 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.493 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' HA ' ' OD1' ' A' ' 30' ' ' ASP . 42.1 ttp180 -171.16 114.31 0.4 Allowed 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.405 0.682 . . . . 0.0 109.411 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -89.14 147.91 23.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.045 0.45 . . . . 0.0 111.308 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -143.21 131.75 22.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.85 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -166.43 -158.69 0.33 Allowed 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 9' ' ' LEU . . . -84.4 -157.12 25.87 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.3 m120 71.11 -9.97 0.81 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.317 0.647 . . . . 0.0 112.016 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' H ' ' C ' ' A' ' 7' ' ' GLY . 84.5 mt -81.74 10.27 6.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.53 70.36 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.27 -28.87 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.56 -46.95 85.81 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.384 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -59.98 -35.08 74.24 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.118 0.567 . . . . 0.0 112.478 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.87 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.844 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.02 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 m -67.07 -42.92 83.87 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.711 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.25 -30.46 69.45 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.367 0.604 . . . . 0.0 110.985 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -62.71 -33.62 75.48 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.498 HD21 ' OH ' ' A' ' 78' ' ' TYR . 91.8 mt -53.1 -48.56 67.71 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.23 0.331 . . . . 0.0 111.631 -173.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.53 -30.51 70.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 111.272 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.2 -32.84 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.633 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.6 tp -111.12 5.75 20.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.972 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 71.37 42.15 0.71 Allowed 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.137 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.93 166.7 22.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.962 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.08 151.36 28.25 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.399 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.91 138.32 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -116.24 140.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 120.928 0.394 . . . . 0.0 110.271 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -119.82 156.33 30.87 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.066 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.55 136.22 30.91 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' OD1' ' HA ' ' A' ' 3' ' ' ARG . 4.4 p-10 -149.15 136.47 20.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.368 0.417 . . . . 0.0 109.996 -178.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.618 ' O ' ' HB2' ' A' ' 1' ' ' MET . 71.5 t-105 92.44 108.51 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.098 0.959 . . . . 0.0 110.742 175.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -149.36 -163.89 1.89 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.572 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.13 116.44 4.55 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.755 0.312 . . . . 0.0 110.464 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 179.93 80.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.199 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -59.66 -37.82 79.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 21.7 p -67.56 -9.5 43.25 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' THR . 67.6 mtm180 69.61 -173.77 0.18 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.835 0.454 . . . . 0.0 111.215 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 67.45 50.94 0.89 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.223 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -78.5 177.25 8.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.086 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 p -113.72 -162.52 0.81 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.67 135.01 29.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.898 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.17 136.07 53.92 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.657 0.265 . . . . 0.0 111.238 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -108.2 124.6 50.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.288 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -121.93 123.58 42.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.283 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.8 mm -97.43 132.33 42.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -132.83 145.47 51.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.58 162.11 19.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.61 6.44 27.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -117.42 20.32 13.64 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.07 -33.77 4.55 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.554 -0.748 . . . . 0.0 113.204 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 153.52 2.5 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.37 0.605 . . . . 0.0 112.451 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -107.73 137.14 46.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.86 -61.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -164.87 169.54 16.46 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.382 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -145.05 141.31 28.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.379 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 136.35 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 110.707 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.2 m -120.22 128.79 53.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.673 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.84 131.42 55.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -141.88 110.72 6.2 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.557 0.694 . . . . 0.0 112.081 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -160.98 141.74 11.45 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -94.31 76.77 3.94 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 117.795 -1.562 . . . . 0.0 111.877 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 18.0 t70 -146.52 117.92 7.93 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.211 171.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -57.75 -49.39 76.73 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.97 -48.72 62.46 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 69' ' ' MET . 72.0 t -60.38 -42.84 92.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.151 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -56.52 -56.83 16.31 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.716 0.293 . . . . 0.0 110.744 -174.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -58.39 -45.18 88.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.58 -44.94 95.05 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.813 0.34 . . . . 0.0 111.606 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 73.2 mtm -55.33 -42.35 73.65 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.157 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.65 -40.4 92.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 t -76.49 -34.76 58.64 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.34 -51.41 67.73 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.457 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 93.0 t90 -57.36 -35.85 70.46 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.95 -43.66 95.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 111.282 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.67 -35.99 82.82 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.814 0.816 . . . . 0.0 109.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.457 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 7.6 t60 -56.29 -30.85 63.04 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.204 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtp -64.05 -40.06 95.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.397 0.618 . . . . 0.0 110.454 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.498 ' OH ' HD21 ' A' ' 19' ' ' LEU . 95.2 m-85 -64.05 -38.12 89.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.67 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.19 -22.88 67.16 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.544 -176.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -95.18 -41.7 8.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.111 0.481 . . . . 0.0 110.664 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.55 -33.04 74.24 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.428 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.41 -36.87 85.25 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.905 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.64 -39.21 84.64 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -98.63 138.67 35.49 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 C--O 1.265 1.889 0 CA-C-O 117.53 -1.224 . . . . 0.0 110.71 -175.114 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m120 . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.237 0.541 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 77.4 mt -90.71 -0.8 57.82 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.145 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.89 72.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.008 0.432 . . . . 0.0 110.936 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.5 -49.01 78.9 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.89 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 35.1 mmtp -52.82 -37.03 59.42 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.6 76.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.04 74.01 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -50.21 -39.58 44.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -58.7 -31.67 68.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.905 0.384 . . . . 0.0 111.519 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.32 -35.98 76.49 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.096 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.26 -45.55 83.88 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.235 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.26 -42.0 96.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.324 . . . . 0.0 111.265 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.94 -10.41 58.48 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 81' ' ' LEU . 41.5 tp -108.88 -1.8 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 t70 63.53 57.38 1.47 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.825 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.68 175.12 9.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.988 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.16 149.66 48.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.614 0.245 . . . . 0.0 110.413 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -146.22 137.33 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.621 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -135.32 137.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.029 0.442 . . . . 0.0 110.631 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.96 151.79 30.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.28 122.15 37.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.334 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.836 -177.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.0 mm -120.88 106.8 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -107.29 126.47 52.47 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.584 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -115.36 125.55 53.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -126.77 136.29 52.2 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.906 0.384 . . . . 0.0 111.851 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.0 mm -116.38 137.96 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.95 172.0 19.24 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.59 0.632 . . . . 0.0 110.78 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.603 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 35.0 t70 -86.54 -159.87 0.52 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.741 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.603 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -100.94 -35.25 9.46 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 23.3 t -85.84 -55.53 3.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.182 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.18 -31.1 0.04 OUTLIER Glycine 0 C--N 1.332 0.331 0 C-N-CA 119.275 -1.44 . . . . 0.0 114.52 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.4 111.55 0.81 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 117.293 0.547 . . . . 0.0 111.829 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.1 pt? -79.45 141.21 36.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.385 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.2 mm -97.8 -61.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.617 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -170.55 172.3 6.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.55 0.214 . . . . 0.0 110.63 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -153.75 153.39 32.12 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 t -150.64 143.13 24.39 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.7 m -117.75 129.15 55.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -113.77 128.81 56.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -150.51 126.5 10.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.605 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.4 t-80 -173.63 -156.62 0.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -172.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.65 ' HB3' HG11 ' A' ' 65' ' ' VAL . 8.3 t-80 -61.55 166.35 4.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.605 0.762 . . . . 0.0 109.457 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 65' ' ' VAL . 32.0 m-20 -40.69 179.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.13 74.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 113.777 -1.556 . . . . 0.0 114.133 -168.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.47 -54.53 45.77 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.804 0.335 . . . . 0.0 111.523 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.65 HG11 ' HB3' ' A' ' 61' ' ' HIS . 9.9 p -67.37 -35.1 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -57.87 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.851 0.358 . . . . 0.0 110.307 -177.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.19 -36.73 73.53 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.78 -46.98 86.27 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.913 0.387 . . . . 0.0 110.17 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 74.5 mtm -60.41 -44.22 95.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.427 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.8 m -62.97 -50.78 69.43 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.0 t -65.31 -31.82 73.16 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.745 0.307 . . . . 0.0 111.249 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.92 -52.87 62.31 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.058 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.539 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 60.3 t90 -63.02 -36.69 84.39 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.955 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.6 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 27.1 t-20 -67.24 -30.52 70.45 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.315 0.579 . . . . 0.0 110.373 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.539 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 4.1 t60 -55.7 -43.72 76.71 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.025 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.7 ptp -76.98 -21.57 54.51 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.6 ' CD2' ' HA ' ' A' ' 75' ' ' ASN . 13.4 m-85 -53.26 -56.36 17.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.28 -43.4 98.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.181 0.515 . . . . 0.0 111.544 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.9 -42.16 75.6 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.953 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.424 ' HB2' HD21 ' A' ' 22' ' ' LEU . 96.4 mt -84.98 -8.67 58.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.87 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 65.6 mttm -83.84 -15.79 46.93 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.242 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.32 -0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 110.671 178.416 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 m120 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 mt -101.49 8.93 41.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.3 70.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.808 0.337 . . . . 0.0 111.233 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.37 -27.09 32.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 0.0 110.944 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.34 -44.38 97.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.77 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -60.71 -37.79 82.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.857 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.19 79.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.03 0.443 . . . . 0.0 110.525 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB2' HD21 ' A' ' 75' ' ' ASN . . . -78.37 -24.71 46.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.225 177.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.536 ' HA ' HD13 ' A' ' 19' ' ' LEU . 96.4 m -58.93 -42.3 89.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.961 0.504 . . . . 0.0 112.344 -177.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.56 -39.95 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.119 0.485 . . . . 0.0 110.888 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -53.89 -37.38 63.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.464 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 16' ' ' THR . 8.3 mp -61.02 -43.57 98.69 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.05 0.453 . . . . 0.0 110.455 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.51 -42.16 99.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.386 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -57.4 -50.3 73.45 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.12 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.42 4.34 35.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.94 57.47 2.57 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.337 0.589 . . . . 0.0 111.222 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 pp -141.61 176.63 8.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.639 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 19' ' ' LEU . . . -154.78 160.98 41.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.506 0.193 . . . . 0.0 110.776 -176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.41 147.84 31.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -130.63 138.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -116.74 127.83 54.74 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.427 0.632 . . . . 0.0 111.498 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.26 148.74 31.29 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.3 t . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.75 120.13 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.706 0.289 . . . . 0.0 110.858 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -120.59 116.91 26.27 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.28 128.57 44.25 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -127.68 121.97 31.77 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.748 0.309 . . . . 0.0 111.595 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.3 mm -108.39 130.66 60.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -151.52 145.92 25.52 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.77 170.7 10.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.391 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.1 12.3 1.2 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.206 0.527 . . . . 0.0 111.356 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -132.83 162.02 32.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.784 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.17 56.37 1.1 Allowed Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.05 -16.31 13.09 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.24 99.49 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 123.735 0.814 . . . . 0.0 112.815 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.29 -65.65 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.3 164.98 13.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.561 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.8 p -143.48 141.99 31.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.375 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 m -144.64 130.67 19.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.591 0.234 . . . . 0.0 111.037 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.9 m -112.01 129.22 56.27 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.25 125.78 41.54 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -160.44 119.55 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.144 172.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -167.99 -133.88 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.301 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -62.65 167.08 4.73 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.309 1.044 . . . . 0.0 110.977 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -39.78 170.17 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.679 1.192 . . . . 0.0 112.636 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.96 -23.23 61.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.744 -165.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.4 -50.99 70.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.212 0.53 . . . . 0.0 109.6 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.71 -43.27 80.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.292 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -46.46 90.6 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.06 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -71.78 -43.11 66.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.515 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -57.8 -41.96 83.22 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.62 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.3 mtm -66.16 -46.8 76.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.637 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.41 -57.58 11.26 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -51.3 -37.82 49.56 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.82 -54.91 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -54.05 -39.64 66.4 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.2 -49.94 75.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.567 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.428 HD21 ' HB2' ' A' ' 15' ' ' ALA . 59.7 m-80 -66.69 -26.61 67.11 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.982 0.42 . . . . 0.0 112.034 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -41.73 76.65 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.4 -22.27 57.58 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -60.16 -43.75 95.54 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -62.47 -40.1 95.56 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.667 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.03 -41.43 99.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.574 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.13 -40.21 89.0 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 120.938 0.399 . . . . 0.0 111.353 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.374 0.607 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.55 0.53 13.35 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.985 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.97 62.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.89 26.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.152 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.37 -56.51 21.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.349 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.33 -36.32 83.75 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.52 83.97 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.15 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -62.66 -39.31 93.52 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 111.209 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -57.71 -36.15 71.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.685 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.18 -35.09 79.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.186 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 85.0 mt -55.88 -41.24 74.12 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.694 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -61.04 -41.87 97.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.138 0.494 . . . . 0.0 110.481 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.59 -25.8 66.79 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -112.14 1.29 16.19 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.936 0.789 . . . . 0.0 110.474 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 71.79 38.53 0.94 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.471 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 90.6 mt -115.52 163.37 15.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.134 0.492 . . . . 0.0 111.876 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.67 162.83 37.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.916 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -146.09 138.45 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.4 pt -128.14 132.03 68.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 110.706 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -103.6 143.45 32.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 8.8 m-20 -80.84 168.71 18.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.346 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 CA--C 1.513 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.705 -177.585 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.604 0.24 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -144.65 133.52 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.491 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 43.5 ttm180 -125.3 140.17 53.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.748 0.308 . . . . 0.0 110.988 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.99 115.74 30.75 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -116.02 125.29 52.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.398 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mm -114.91 129.38 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -132.86 167.12 20.78 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.789 0.328 . . . . 0.0 110.781 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -102.85 147.61 26.68 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.803 0.811 . . . . 0.0 111.759 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -72.52 12.56 0.46 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.493 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 t -131.97 19.41 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.841 0.829 . . . . 0.0 108.891 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.1 -29.93 10.85 Favored Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.174 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -59.64 172.83 0.63 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.402 0.62 . . . . 0.0 112.459 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -127.03 144.69 50.96 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.45 -61.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.335 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -164.95 167.13 18.85 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -152.48 147.64 26.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -150.43 142.94 24.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -121.75 131.42 54.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.051 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -126.65 137.81 53.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.355 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -146.25 126.8 14.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -172.25 134.51 0.71 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -87.95 77.37 8.48 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.849 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 13.2 t70 -147.17 112.24 5.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.54 172.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -59.61 -44.9 93.26 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.16 -55.71 9.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.09 0.472 . . . . 0.0 112.114 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.62 -39.47 83.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.319 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.613 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -55.77 -56.51 19.71 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.322 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.87 -38.27 90.18 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -60.41 -47.36 86.44 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.912 0.386 . . . . 0.0 110.705 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.89 -42.06 92.98 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.724 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.2 m -66.42 -44.8 81.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 t -73.58 -29.4 62.38 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.679 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.65 -52.12 65.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -57.18 -31.45 65.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.23 -38.07 87.79 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.189 0.518 . . . . 0.0 111.356 -176.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -64.17 -37.46 87.56 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -31.74 71.99 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ptp -76.71 -22.24 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -59.87 -58.12 9.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.95 -45.25 82.46 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -49.62 -39.36 35.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.72 -46.38 85.68 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.252 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -39.37 79.65 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.673 0.273 . . . . 0.0 111.211 175.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.926 -177.581 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.7 mt -66.23 -25.81 67.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.877 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.84 73.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.763 0.315 . . . . 0.0 110.647 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -40.52 71.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.042 0.449 . . . . 0.0 110.81 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.89 -47.99 83.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.503 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 57.3 mtmt -60.55 -36.78 79.3 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.22 62.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.07 68.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.725 0.298 . . . . 0.0 111.768 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -59.36 -45.65 90.82 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.04 -176.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.94 -34.5 78.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.038 0.447 . . . . 0.0 111.063 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -71.84 -38.09 70.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.48 -43.47 98.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.252 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.05 -42.0 97.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.416 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -62.66 -11.82 19.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -112.2 -0.64 15.46 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.663 1.119 . . . . 0.0 109.499 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 68.01 57.18 0.51 Allowed 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.694 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -136.68 167.53 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.087 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.1 152.5 35.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.897 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.48 131.19 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.785 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -133.42 131.45 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 112.065 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -124.24 158.78 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.361 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -143.28 145.58 32.86 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.47 0.539 0 O-C-N 123.622 0.576 . . . . 0.0 110.786 176.785 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 p . . . . . 0 C--O 1.217 -0.635 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -137.34 117.73 16.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.298 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.552 ' HG2' HG23 ' A' ' 57' ' ' THR . 70.2 mtp180 -108.97 132.01 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.33 116.33 27.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -115.45 132.02 56.75 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 111.627 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.8 mm -118.89 131.46 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 116.328 -0.397 . . . . 0.0 109.961 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' A' ' 52' ' ' LEU . 43.2 mt-10 -148.9 170.39 18.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.589 0.233 . . . . 0.0 110.406 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 36.3 t70 -75.4 -170.49 1.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.583 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 1.8 mpp_? -98.56 -37.38 9.57 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -86.51 -72.84 0.48 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.66 72.61 0.15 Allowed Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.651 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.69 114.69 4.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.805 0.336 . . . . 0.0 110.287 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.663 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.3 pt? -72.73 140.09 47.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.991 0.424 . . . . 0.0 110.996 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.87 -61.95 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -164.12 165.23 22.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.55 0.214 . . . . 0.0 110.677 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.1 p -140.06 129.42 23.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.077 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.4 t -139.41 137.9 36.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 0.0 111.562 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.552 HG23 ' HG2' ' A' ' 42' ' ' ARG . 99.4 m -120.45 124.23 44.93 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.938 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -109.01 116.64 32.39 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 23.0 p90 -159.45 122.42 3.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 71.7 t60 -179.56 -70.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 120.546 -0.462 . . . . 0.0 112.078 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.28 163.81 17.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.436 -174.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 63' ' ' GLU . 33.5 t70 -42.74 172.94 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.789 1.236 . . . . 0.0 113.629 -177.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.412 ' H ' ' CG ' ' A' ' 62' ' ' ASP . 14.5 pt-20 -61.77 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.839 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.43 -55.59 31.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.262 0.553 . . . . 0.0 110.56 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.68 -41.61 80.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.708 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -57.18 14.02 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.595 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -64.49 -34.37 78.06 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.67 -45.04 90.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.253 0.549 . . . . 0.0 109.669 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.0 mtm -62.93 -40.26 97.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.951 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.84 -47.35 75.26 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -62.56 -40.27 96.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.92 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.09 -25.66 66.33 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.505 0.669 . . . . 0.0 110.825 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.432 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 70.7 t90 -73.29 -44.03 59.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.31 -171.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.64 -45.9 67.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.828 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -60.72 -29.23 69.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.432 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 2.7 t60 -57.26 -43.17 82.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.831 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.7 ptp -79.06 -21.3 47.0 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -57.65 -48.01 80.67 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.58 -44.51 96.89 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -173.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.81 -35.91 69.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.219 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.52 -5.86 59.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.271 0.558 . . . . 0.0 111.018 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -85.32 -13.62 49.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.417 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.267 177.562 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 N--CA 1.469 0.485 0 CA-C-O 121.357 0.598 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.76 -2.53 11.37 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -51.4 70.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.33 -34.36 25.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.09 0.472 . . . . 0.0 110.55 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -57.38 -48.42 79.1 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.084 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -62.84 -33.41 75.19 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.89 79.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.96 79.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.704 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 m -58.45 -40.88 83.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.867 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -62.82 -31.66 72.71 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -68.68 -36.49 78.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -57.03 -33.27 67.03 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.056 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.55 -33.62 72.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -76.7 -15.04 59.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.06 -3.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.27 56.19 5.32 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 123.449 0.468 . . . . 0.0 111.328 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 pp -147.51 172.54 13.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.402 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.3 151.64 31.15 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -116.86 130.18 72.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.034 0.445 . . . . 0.0 111.885 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.2 pt -108.19 138.1 36.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -107.78 148.59 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.501 . . . . 0.0 111.889 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.3 125.07 31.85 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.337 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--O 1.235 0.314 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.114 179.433 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 120.312 0.101 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -139.88 125.27 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -113.53 134.59 54.61 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.59 0.233 . . . . 0.0 111.573 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.44 110.2 22.34 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -106.35 125.9 51.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.036 0.446 . . . . 0.0 111.539 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.8 mm -106.12 126.56 61.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -139.89 144.98 37.45 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.84 154.28 36.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.354 0.597 . . . . 0.0 111.305 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.79 -30.7 63.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.826 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -92.43 22.66 4.42 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.824 -0.547 . . . . 0.0 111.33 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.87 55.48 9.46 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.863 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -135.94 135.59 39.74 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.7 pt? -73.66 147.89 43.3 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 122.203 -0.311 . . . . 0.0 110.518 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.45 -44.61 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' OD2' ' HZ2' ' A' ' 73' ' ' TRP . 41.0 t0 -176.66 173.51 1.98 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.307 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -148.26 143.7 27.15 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.487 0.315 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.5 m -150.03 143.0 24.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.464 0.173 . . . . 0.0 110.728 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.6 m -128.75 130.27 46.84 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -127.51 121.11 29.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -151.44 111.15 4.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.101 0.953 . . . . 0.0 113.164 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -171.85 153.74 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -88.28 80.65 7.48 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 119.104 -1.039 . . . . 0.0 112.431 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -144.6 104.05 4.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.711 171.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -55.29 -49.47 72.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -177.387 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -37.53 51.51 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.413 -0.915 . . . . 0.0 112.686 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.36 -41.72 91.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.76 -52.76 64.14 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.7 -34.6 78.69 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -57.98 -51.08 71.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.078 0.466 . . . . 0.0 110.605 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.26 -36.64 80.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.05 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.08 -49.38 76.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -72.55 -37.99 68.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.63 -33.09 75.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.141 0.496 . . . . 0.0 111.692 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.409 ' HZ2' ' OD2' ' A' ' 54' ' ' ASP . 78.6 t90 -72.76 -38.18 67.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.685 0.755 . . . . 0.0 110.14 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 77' ' ' MET . 79.4 mt -65.75 -41.68 91.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.593 -177.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 49.2 t30 -61.53 -37.57 84.21 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.296 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -37.05 73.15 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 74' ' ' LEU . 20.8 ptp -76.53 -21.95 55.05 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.562 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 28.9 m-85 -59.09 -51.43 70.08 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.81 -46.8 89.1 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.51 -39.81 85.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.25 2.78 42.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.114 0.483 . . . . 0.0 112.109 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 61.4 mttm -86.04 -14.13 45.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.068 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 121.089 0.471 . . . . 0.0 110.468 177.206 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.833 0.349 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.39 6.38 37.67 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -53.25 57.71 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.42 -27.87 29.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.368 0.604 . . . . 0.0 110.618 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -58.24 -46.49 85.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.583 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -62.35 -33.82 75.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.23 -26.94 53.14 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -24.29 67.69 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 m -59.03 -42.56 90.48 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.51 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.49 -36.47 82.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.135 0.493 . . . . 0.0 111.007 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.36 -35.78 74.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.378 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.53 HD23 ' OH ' ' A' ' 78' ' ' TYR . 91.3 mt -58.75 -42.68 89.43 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.951 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.86 -31.07 72.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.434 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -54.88 -44.34 74.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.1 tp -107.7 12.12 27.78 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 65.52 58.42 0.83 Allowed 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.222 0.534 . . . . 0.0 112.277 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 4.3 pp -145.51 171.23 14.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.86 -179.46 6.71 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.495 0.183 . . . . 0.0 111.495 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 p -147.44 139.35 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.634 0.373 . . . . 0.0 110.302 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -129.78 141.1 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -125.28 152.9 44.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' OD2' ' HD2' ' A' ' 42' ' ' ARG . 35.0 m-20 -114.98 136.46 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.924 -177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.025 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 120.406 0.146 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.5 mt -133.69 128.57 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-O 120.667 0.27 . . . . 0.0 111.319 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HD2' ' OD2' ' A' ' 29' ' ' ASP . 31.7 ttm180 -124.99 136.22 53.52 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.836 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.81 121.49 43.76 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.718 0.407 . . . . 0.0 110.448 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -116.55 119.97 37.26 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.95 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.5 mm -108.77 130.09 62.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.5 160.05 43.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.99 163.45 17.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -80.44 12.58 2.93 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 123.267 0.627 . . . . 0.0 112.455 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -116.86 15.57 15.26 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.988 0.423 . . . . 0.0 109.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.18 3.85 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.621 -0.799 . . . . 0.0 111.504 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -153.56 115.91 4.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.6 pt? -71.74 140.34 49.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.633 0.254 . . . . 0.0 110.555 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.1 mm -101.58 -51.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.739 0.305 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -164.85 166.55 19.56 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -148.54 147.12 28.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.661 0.385 . . . . 0.0 110.542 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.6 t -147.91 139.87 24.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.2 m -128.74 138.43 52.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -122.21 138.95 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.627 0.251 . . . . 0.0 111.246 -177.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 88.5 m-85 -132.72 125.76 30.96 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 6.6 t-80 170.4 121.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -77.75 78.46 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.191 -1.404 . . . . 0.0 110.303 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.656 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 1.1 m-20 -144.66 123.0 12.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.938 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.22 -58.62 4.99 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 120.844 0.354 . . . . 0.0 111.644 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.99 -43.99 77.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.063 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 87.3 t -62.42 -44.31 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.538 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.656 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -60.62 -53.18 60.64 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.804 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -59.92 -43.59 94.81 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -56.76 -43.14 80.5 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.583 0.23 . . . . 0.0 111.474 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.8 mtm -68.56 -41.08 80.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.236 0.541 . . . . 0.0 111.24 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.09 -38.18 82.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -173.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -74.56 -32.07 62.3 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -172.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -60.81 -53.3 58.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.542 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 81.2 t90 -55.61 -30.62 61.23 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.52 -44.75 95.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.735 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -75.39 -21.62 58.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.553 0.692 . . . . 0.0 110.639 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.542 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 5.8 t60 -56.64 -43.17 80.01 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.921 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.446 ' HB3' ' HE2' ' A' ' 77' ' ' MET . 17.8 ptp -67.15 -32.9 74.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.608 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 74.3 m-85 -59.07 -43.84 91.79 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.89 -30.5 70.91 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.95 -39.47 26.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.2 mt -78.5 -19.03 53.89 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.8 mttt -62.71 -35.26 79.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.537 0.208 . . . . 0.0 111.543 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 111.612 -178.869 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.689 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 97.3 mt -61.9 10.57 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.06 -52.45 58.49 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.448 0.567 . . . . 0.0 112.482 -175.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.77 83.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.386 0.612 . . . . 0.0 110.808 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.17 -43.53 78.45 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.689 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 65.3 mttm -55.49 -35.06 65.15 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -29.17 65.21 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.49 -23.51 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.9 m -57.05 -47.29 81.32 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -66.99 -34.96 78.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.035 0.445 . . . . 0.0 111.63 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -70.93 -35.51 72.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -54.66 -37.07 65.27 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.225 0.61 . . . . 0.0 112.22 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -60.88 -34.38 74.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 111.09 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -76.8 -9.42 58.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -110.4 -6.56 14.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.508 0.67 . . . . 0.0 110.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 62.89 48.32 4.05 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.926 172.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.17 171.26 15.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.5 -179.04 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.055 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -149.73 143.07 17.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.386 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.87 136.72 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.032 0.444 . . . . 0.0 111.044 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -116.11 152.48 33.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -126.51 127.46 45.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.338 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.941 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 120.705 0.288 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.92 125.86 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.825 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.51 ' HG2' HG23 ' A' ' 57' ' ' THR . 60.9 mtp180 -107.14 128.92 54.83 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.918 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 tp -109.98 111.06 22.22 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.512 ' HE ' ' CD ' ' A' ' 46' ' ' GLU . 25.9 ttt180 -110.95 128.55 55.87 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.4 mm -108.83 127.86 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' CD ' ' HE ' ' A' ' 44' ' ' ARG . 56.5 mt-10 -149.36 167.4 26.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.086 0.47 . . . . 0.0 111.769 178.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' ASN . 28.1 t70 -90.78 169.09 11.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.249 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.591 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -96.03 9.45 40.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.817 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.2 t -132.66 36.3 3.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.818 -0.551 . . . . 0.0 111.498 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 57.94 4.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.607 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 47.1 t30 -151.9 105.74 3.14 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 3.7 pp -75.25 146.05 41.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.77 -51.99 7.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -176.87 176.82 1.4 Allowed 'General case' 0 C--O 1.238 0.455 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -145.14 143.72 30.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.4 t -149.43 143.79 25.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.816 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.51 HG23 ' HG2' ' A' ' 42' ' ' ARG . 85.1 m -128.39 132.31 48.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.58 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.38 114.61 22.08 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.738 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.25 0.547 . . . . 0.0 111.245 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.5 t60 176.53 122.44 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -81.05 80.26 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.627 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 11.8 t70 -143.69 104.36 4.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.358 171.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.84 -50.45 64.53 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.68 -39.75 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -51.9 -56.48 13.82 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.165 -173.184 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.55 -29.47 68.04 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.01 -44.1 97.91 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.8 mtm -66.68 -36.63 82.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.1 m -63.8 -44.86 92.06 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 t -76.04 -33.2 59.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 110.938 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.93 -28.71 69.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 62.8 t90 -75.22 -37.81 60.95 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.828 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.32 -46.43 76.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.544 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.57 -31.63 72.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 38.5 t60 -55.64 -44.36 77.1 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.015 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 ptp -78.44 -22.66 47.32 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.604 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 52.4 m-85 -58.05 -46.02 86.07 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.26 -50.56 73.15 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -64.55 -39.97 94.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.587 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.1 mt -81.64 -1.83 48.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -175.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 97.0 mttt -81.02 -20.53 41.54 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.683 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 178.756 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 121.792 0.806 . . . . 0.0 108.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -117.95 -9.4 10.61 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.404 -1.271 . . . . 0.0 113.306 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.23 64.88 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.15 -39.55 60.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.163 0.506 . . . . 0.0 111.246 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.37 -51.56 69.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.81 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' A' ' 16' ' ' THR . 75.2 mmtt -66.79 -34.69 78.37 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -29.3 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 13' ' ' LYS . 96.6 m -61.31 -44.65 96.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.806 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.09 -27.63 68.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.099 0.476 . . . . 0.0 111.287 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 14.7 mptt -68.94 -34.41 75.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.656 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.38 -37.89 68.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.272 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.11 -41.72 97.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.13 -8.67 56.8 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.436 0.636 . . . . 0.0 111.007 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 81' ' ' LEU . 28.1 tp -110.04 -5.53 15.39 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.456 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 60.23 46.2 10.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.086 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -150.04 178.16 9.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.562 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.04 145.63 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.595 0.236 . . . . 0.0 110.583 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -95.64 119.6 43.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 pt -97.2 129.49 47.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.828 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -117.81 157.17 27.07 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.159 0.504 . . . . 0.0 111.318 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 33.4 t70 -82.02 154.68 25.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.864 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 . . . . . 0 C--N 1.312 -1.059 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.012 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 120.707 0.289 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -127.95 111.76 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.694 0.283 . . . . 0.0 110.4 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 73.8 mtt85 -112.09 135.27 52.96 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.79 111.29 22.36 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.375 0.27 . . . . 0.0 111.516 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -107.35 122.73 47.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.7 0.286 . . . . 0.0 111.103 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.45 127.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.717 0.294 . . . . 0.0 111.127 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HA ' HG12 ' A' ' 53' ' ' ILE . 10.4 pt-20 -152.28 158.51 42.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.47 158.38 35.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.529 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.49 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -74.77 9.36 1.88 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -112.65 6.96 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.44 -18.9 56.07 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 113.432 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -62.56 120.52 11.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.852 0.326 . . . . 0.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.6 pp -69.99 146.69 50.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.312 0.577 . . . . 0.0 112.307 -177.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 46' ' ' GLU . 46.7 mm -110.98 -51.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.843 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -173.17 175.46 3.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.094 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -149.67 140.0 22.31 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -142.06 141.67 32.79 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 111.69 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.9 m -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -107.61 114.63 28.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.46 127.99 15.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 172.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.494 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 5.3 t-80 -174.82 -155.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.96 -176.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.494 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 71.8 m-70 -61.7 163.78 6.88 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.015 0.926 . . . . 0.0 110.407 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' VAL . 16.4 t70 -43.16 159.56 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -35.63 -32.58 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.612 1.965 . . . . 0.0 115.862 -175.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -55.97 -43.21 77.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 118.369 0.531 . . . . 0.0 111.352 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 62' ' ' ASP . 8.7 p -73.94 -32.42 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.3 mm? -60.93 -51.89 67.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -172.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.48 -36.1 82.63 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.02 -43.44 98.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 76.1 mtm -67.94 -38.04 82.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.042 0.449 . . . . 0.0 111.057 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.8 m -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.82 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -73.1 -41.54 63.93 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.662 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.92 -31.2 71.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 111.529 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -75.6 -42.64 51.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.015 0.912 . . . . 0.0 109.124 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.53 -41.41 84.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.628 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -62.99 -36.05 82.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.06 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.72 -42.52 75.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.667 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.8 ptp -77.05 -21.94 53.71 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 18' ' ' LYS . 44.1 m-85 -59.81 -47.17 86.79 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -40.29 76.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.75 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.69 -39.71 85.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.435 HD12 HD21 ' A' ' 22' ' ' LEU . 96.7 mt -78.91 -7.69 58.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 111.103 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -87.9 -15.38 36.83 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.716 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.066 -179.071 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m120 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 121.368 0.604 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.42 3.93 0.61 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.9 67.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.6 -26.75 32.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.493 0.663 . . . . 0.0 110.334 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.089 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.43 -39.46 83.6 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.43 96.59 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.04 61.87 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -52.41 -44.32 65.32 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.32 -25.08 67.45 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.0 -35.86 79.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.715 0.293 . . . . 0.0 111.352 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.3 -34.3 70.41 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.511 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.77 -30.75 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -77.62 -9.3 58.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.112 0.482 . . . . 0.0 110.706 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD23 HD21 ' A' ' 24' ' ' LEU . 33.0 tp -115.44 -5.9 12.28 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.776 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 58.36 57.45 3.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.672 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD21 HD23 ' A' ' 22' ' ' LEU . 1.6 pp -147.71 176.69 9.9 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.33 177.57 6.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.139 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' CG2' HD11 ' A' ' 43' ' ' LEU . 3.7 p -151.13 124.95 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.579 0.228 . . . . 0.0 111.086 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.62 147.56 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 121.082 0.468 . . . . 0.0 112.21 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -121.39 163.39 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.544 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 77.1 m-20 -104.15 120.28 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.35 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.704 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 120.504 0.192 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.6 mm -125.26 111.37 27.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 35.3 mtp-105 -109.45 126.43 53.48 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD11 ' CG2' ' A' ' 26' ' ' VAL . 28.9 tp -104.88 111.63 24.45 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.019 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 ttm105 -108.77 125.08 51.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.083 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.68 126.43 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.42 -178.4 5.6 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 51' ' ' ASN . 28.5 t70 -124.0 150.38 44.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.227 0.537 . . . . 0.0 112.165 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.705 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -94.38 11.56 30.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.792 -178.554 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 23.0 t -118.04 20.38 13.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.82 2.95 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.126 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 65.2 m-80 -147.95 154.8 40.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.71 127.24 56.07 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.4 mm -102.43 -62.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -174.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -166.22 167.89 15.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.705 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 m -151.86 142.3 22.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.231 0.612 . . . . 0.0 109.686 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 m -151.73 150.94 30.77 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.57 0.224 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -120.37 124.02 44.51 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.23 119.57 38.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -154.33 129.64 9.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.607 -1.256 . . . . 0.0 107.607 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.506 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.9 t-80 -171.41 -166.95 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.396 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.506 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -61.11 167.33 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 124.381 1.072 . . . . 0.0 109.997 174.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.558 ' O ' HG12 ' A' ' 65' ' ' VAL . 24.5 t70 -36.66 142.37 0.1 Allowed 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -39.4 -24.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.853 2.061 . . . . 0.0 114.972 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.4 -50.55 67.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 62' ' ' ASP . 14.8 p -75.3 -33.62 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-O 121.161 0.505 . . . . 0.0 111.753 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.8 -56.57 16.26 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -172.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.76 -25.39 62.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.94 -42.02 93.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.761 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.02 -35.78 78.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.265 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.26 -41.78 98.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.9 t -67.5 -37.77 83.33 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.273 0.559 . . . . 0.0 110.665 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.22 -27.57 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 83.2 t90 -73.94 -44.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.623 -175.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.04 -47.98 78.06 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.36 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 40.5 m-80 -61.27 -32.72 72.54 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.978 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 3.3 t60 -55.42 -41.0 72.17 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.6 ptp -77.05 -21.35 54.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.579 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 39.5 m-85 -55.87 -50.99 69.11 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.48 -41.28 98.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.02 0.438 . . . . 0.0 111.472 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.74 -30.63 67.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.491 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.1 mt -92.92 -2.7 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.7 mttt -85.5 -49.15 8.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.832 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.3 m120 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 121.052 0.453 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.74 10.27 6.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.53 70.36 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.27 -28.87 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.56 -46.95 85.81 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.384 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -59.98 -35.08 74.24 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.118 0.567 . . . . 0.0 112.478 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.87 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.844 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.02 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 m -67.07 -42.92 83.87 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.711 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.25 -30.46 69.45 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.367 0.604 . . . . 0.0 110.985 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -62.71 -33.62 75.48 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.512 HD23 ' OH ' ' A' ' 78' ' ' TYR . 91.8 mt -53.1 -48.56 67.71 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.23 0.331 . . . . 0.0 111.631 -173.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.53 -30.51 70.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 111.272 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.2 -32.84 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.633 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.6 tp -111.12 5.75 20.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.972 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 71.37 42.15 0.71 Allowed 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.137 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.93 166.7 22.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.962 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.08 151.36 28.25 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.399 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.91 138.32 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -116.24 140.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 120.928 0.394 . . . . 0.0 110.271 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -119.82 156.33 30.87 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.066 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.55 136.22 30.91 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 123.368 0.417 . . . . 0.0 109.996 -178.015 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 p . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.67 135.01 29.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.898 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.17 136.07 53.92 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.657 0.265 . . . . 0.0 111.238 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -108.2 124.6 50.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.288 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -121.93 123.58 42.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.283 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.8 mm -97.43 132.33 42.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -132.83 145.47 51.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.58 162.11 19.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -85.61 6.44 27.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -117.42 20.32 13.64 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.07 -33.77 4.55 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.554 -0.748 . . . . 0.0 113.204 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 153.52 2.5 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.37 0.605 . . . . 0.0 112.451 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 52' ' ' LEU . 1.3 pt? -107.73 137.14 46.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.86 -61.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -164.87 169.54 16.46 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.382 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -145.05 141.31 28.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.379 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 136.35 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 110.707 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.2 m -120.22 128.79 53.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.673 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.84 131.42 55.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -141.88 110.72 6.2 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.557 0.694 . . . . 0.0 112.081 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -160.98 141.74 11.45 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -94.31 76.77 3.94 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 117.795 -1.562 . . . . 0.0 111.877 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.438 ' HB3' ' HB ' ' A' ' 65' ' ' VAL . 18.0 t70 -146.52 117.92 7.93 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.211 171.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -57.75 -49.39 76.73 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.97 -48.72 62.46 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 72.0 t -60.38 -42.84 92.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.151 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.487 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 0.4 OUTLIER -56.52 -56.83 16.31 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.716 0.293 . . . . 0.0 110.744 -174.851 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -58.39 -45.18 88.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.58 -44.94 95.05 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.813 0.34 . . . . 0.0 111.606 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.487 ' HE2' ' HA ' ' A' ' 66' ' ' LEU . 73.2 mtm -55.33 -42.35 73.65 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.157 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.65 -40.4 92.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 t -76.49 -34.76 58.64 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.34 -51.41 67.73 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.459 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 93.0 t90 -57.36 -35.85 70.46 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.95 -43.66 95.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 111.282 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.67 -35.99 82.82 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.814 0.816 . . . . 0.0 109.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 7.6 t60 -56.29 -30.85 63.04 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.204 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtp -64.05 -40.06 95.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.397 0.618 . . . . 0.0 110.454 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.512 ' OH ' HD23 ' A' ' 19' ' ' LEU . 95.2 m-85 -64.05 -38.12 89.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.67 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.19 -22.88 67.16 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.544 -176.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -95.18 -41.7 8.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.111 0.481 . . . . 0.0 110.664 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.55 -33.04 74.24 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.428 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.41 -36.87 85.25 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.905 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.549 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.246 0.546 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.33 175.54 38.78 Favored Glycine 0 N--CA 1.438 -1.228 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.382 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -130.07 130.46 44.92 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.704 0.287 . . . . 0.0 110.357 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.82 162.91 16.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.983 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -128.52 121.81 29.69 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.384 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -160.38 167.81 26.56 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.644 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.66 -43.03 99.81 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.569 -0.348 . . . . 0.0 113.858 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -69.16 -13.81 62.63 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 117.319 0.56 . . . . 0.0 111.131 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 77.4 mt -90.71 -0.8 57.82 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.145 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.89 72.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.008 0.432 . . . . 0.0 110.936 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.5 -49.01 78.9 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.89 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 35.1 mmtp -52.82 -37.03 59.42 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.6 76.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.04 74.01 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -50.21 -39.58 44.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -58.7 -31.67 68.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.905 0.384 . . . . 0.0 111.519 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.32 -35.98 76.49 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.096 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.26 -45.55 83.88 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.235 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.26 -42.0 96.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.324 . . . . 0.0 111.265 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.94 -10.41 58.48 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 81' ' ' LEU . 41.5 tp -108.88 -1.8 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 t70 63.53 57.38 1.47 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.825 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.68 175.12 9.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.988 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.16 149.66 48.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.614 0.245 . . . . 0.0 110.413 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -146.22 137.33 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.621 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -135.32 137.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.029 0.442 . . . . 0.0 110.631 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.96 151.79 30.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.28 122.15 37.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.334 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 31' ' ' TRP . 2.0 t70 -154.29 135.08 13.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.836 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.416 ' HB3' ' O ' ' A' ' 30' ' ' ASP . 75.2 t-105 95.84 -3.6 0.07 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.668 1.187 . . . . 0.0 110.572 175.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -117.38 130.34 56.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.852 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -151.81 166.62 30.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.363 -0.38 . . . . 0.0 109.992 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.51 -116.18 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.186 0.303 . . . . 0.0 111.641 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -95.57 -17.36 21.45 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.2 p -74.14 -32.38 63.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -174.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 56.21 61.51 2.7 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.035 0.445 . . . . 0.0 111.389 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.529 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 1.5 tpmt? -125.88 138.96 53.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -67.26 139.92 57.35 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 p -164.86 159.37 18.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.694 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.0 mm -120.88 106.8 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -107.29 126.47 52.47 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.584 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -115.36 125.55 53.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -126.77 136.29 52.2 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.906 0.384 . . . . 0.0 111.851 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.0 mm -116.38 137.96 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.95 172.0 19.24 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.59 0.632 . . . . 0.0 110.78 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.603 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 35.0 t70 -86.54 -159.87 0.52 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.741 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.603 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -100.94 -35.25 9.46 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 23.3 t -85.84 -55.53 3.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.182 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.18 -31.1 0.04 OUTLIER Glycine 0 C--N 1.332 0.331 0 C-N-CA 119.275 -1.44 . . . . 0.0 114.52 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.4 111.55 0.81 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 117.293 0.547 . . . . 0.0 111.829 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.1 pt? -79.45 141.21 36.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.385 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.2 mm -97.8 -61.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.617 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -170.55 172.3 6.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.55 0.214 . . . . 0.0 110.63 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -153.75 153.39 32.12 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 t -150.64 143.13 24.39 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.7 m -117.75 129.15 55.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -113.77 128.81 56.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -150.51 126.5 10.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.605 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.4 t-80 -173.63 -156.62 0.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -172.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.65 ' HB3' HG11 ' A' ' 65' ' ' VAL . 8.3 t-80 -61.55 166.35 4.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.605 0.762 . . . . 0.0 109.457 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 65' ' ' VAL . 32.0 m-20 -40.69 179.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.13 74.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 113.777 -1.556 . . . . 0.0 114.133 -168.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.47 -54.53 45.77 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.804 0.335 . . . . 0.0 111.523 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.65 HG11 ' HB3' ' A' ' 61' ' ' HIS . 9.9 p -67.37 -35.1 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -57.87 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.851 0.358 . . . . 0.0 110.307 -177.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.19 -36.73 73.53 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.78 -46.98 86.27 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.913 0.387 . . . . 0.0 110.17 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 74.5 mtm -60.41 -44.22 95.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.427 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.8 m -62.97 -50.78 69.43 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.0 t -65.31 -31.82 73.16 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.745 0.307 . . . . 0.0 111.249 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.92 -52.87 62.31 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.058 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.539 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 60.3 t90 -63.02 -36.69 84.39 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.955 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.6 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 27.1 t-20 -67.24 -30.52 70.45 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.315 0.579 . . . . 0.0 110.373 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.539 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 4.1 t60 -55.7 -43.72 76.71 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.025 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.7 ptp -76.98 -21.57 54.51 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.6 ' CD2' ' HA ' ' A' ' 75' ' ' ASN . 13.4 m-85 -53.26 -56.36 17.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.28 -43.4 98.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.181 0.515 . . . . 0.0 111.544 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.9 -42.16 75.6 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.953 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.424 ' HB2' HD21 ' A' ' 22' ' ' LEU . 96.4 mt -84.98 -8.67 58.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.87 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 65.6 mttm -83.84 -15.79 46.93 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.242 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -89.03 -36.86 15.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 110.671 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -88.29 125.39 34.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.3 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.268 2.057 0 C-N-CA 124.989 1.316 . . . . 0.0 113.374 179.606 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.982 0.42 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.6 56.98 0.6 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -65.19 -36.16 83.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 0.0 111.309 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.7 mt -108.79 142.42 39.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.797 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -124.42 -24.46 4.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.749 0.309 . . . . 0.0 111.561 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 t -159.89 173.55 15.77 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.75 -24.45 23.82 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.466 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -143.63 -9.37 0.73 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.852 0.358 . . . . 0.0 110.663 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 mt -101.49 8.93 41.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.3 70.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.808 0.337 . . . . 0.0 111.233 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.37 -27.09 32.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 0.0 110.944 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.34 -44.38 97.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.77 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -60.71 -37.79 82.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.857 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.19 79.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.03 0.443 . . . . 0.0 110.525 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB2' HD21 ' A' ' 75' ' ' ASN . . . -78.37 -24.71 46.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.225 177.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.536 ' HA ' HD13 ' A' ' 19' ' ' LEU . 96.4 m -58.93 -42.3 89.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.961 0.504 . . . . 0.0 112.344 -177.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.56 -39.95 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.119 0.485 . . . . 0.0 110.888 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -53.89 -37.38 63.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.464 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 16' ' ' THR . 8.3 mp -61.02 -43.57 98.69 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.05 0.453 . . . . 0.0 110.455 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.51 -42.16 99.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.386 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -57.4 -50.3 73.45 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.12 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.42 4.34 35.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.94 57.47 2.57 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.337 0.589 . . . . 0.0 111.222 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 pp -141.61 176.63 8.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.639 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 19' ' ' LEU . . . -154.78 160.98 41.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.506 0.193 . . . . 0.0 110.776 -176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.41 147.84 31.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -130.63 138.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -116.74 127.83 54.74 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.427 0.632 . . . . 0.0 111.498 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.26 148.74 31.29 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.48 118.84 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -164.0 137.51 5.4 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -101.25 81.41 2.21 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -113.18 -28.88 7.48 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.446 -176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -65.07 100.34 0.43 Allowed 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.415 0.626 . . . . 0.0 112.209 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -52.44 -48.01 66.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.173 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -91.27 0.26 57.55 Favored 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 99.7 mtt180 -132.81 176.81 8.14 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.517 -0.739 . . . . 0.0 111.944 -176.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -149.88 126.73 11.1 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.495 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -144.19 -176.5 5.04 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.3 t -144.43 -85.73 0.13 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.75 120.13 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.706 0.289 . . . . 0.0 110.858 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -120.59 116.91 26.27 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.28 128.57 44.25 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -127.68 121.97 31.77 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.748 0.309 . . . . 0.0 111.595 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.3 mm -108.39 130.66 60.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -151.52 145.92 25.52 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.77 170.7 10.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.391 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.1 12.3 1.2 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.206 0.527 . . . . 0.0 111.356 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -132.83 162.02 32.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.784 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.17 56.37 1.1 Allowed Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.05 -16.31 13.09 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.24 99.49 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 123.735 0.814 . . . . 0.0 112.815 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.29 -65.65 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.3 164.98 13.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.561 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.8 p -143.48 141.99 31.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.375 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 m -144.64 130.67 19.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.591 0.234 . . . . 0.0 111.037 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.9 m -112.01 129.22 56.27 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.25 125.78 41.54 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -160.44 119.55 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.144 172.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -167.99 -133.88 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.301 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -62.65 167.08 4.73 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.309 1.044 . . . . 0.0 110.977 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -39.78 170.17 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.679 1.192 . . . . 0.0 112.636 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.96 -23.23 61.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.744 -165.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.4 -50.99 70.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.212 0.53 . . . . 0.0 109.6 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.71 -43.27 80.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.292 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -46.46 90.6 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.06 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -71.78 -43.11 66.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.515 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -57.8 -41.96 83.22 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.62 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.3 mtm -66.16 -46.8 76.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.637 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.41 -57.58 11.26 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -51.3 -37.82 49.56 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.82 -54.91 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -54.05 -39.64 66.4 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.2 -49.94 75.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.567 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.428 HD21 ' HB2' ' A' ' 15' ' ' ALA . 59.7 m-80 -66.69 -26.61 67.11 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.982 0.42 . . . . 0.0 112.034 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -41.73 76.65 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.4 -22.27 57.58 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -60.16 -43.75 95.54 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -62.47 -40.1 95.56 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.667 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.03 -41.43 99.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.574 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.13 -40.21 89.0 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -92.1 15.41 13.49 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.938 0.399 . . . . 0.0 111.353 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -109.76 110.16 21.08 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.623 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.269 2.114 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.677 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.747 0.308 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.1 -158.88 27.85 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -73.99 109.42 7.47 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -94.27 117.07 29.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.917 0.389 . . . . 0.0 110.348 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -66.46 -47.28 73.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.089 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -161.19 166.61 27.54 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.51 -9.33 86.08 Favored Glycine 0 N--CA 1.468 0.785 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.896 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -108.28 -13.5 14.88 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.374 0.607 . . . . 0.0 110.204 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.55 0.53 13.35 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.985 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.97 62.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.89 26.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.152 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.37 -56.51 21.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.349 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.33 -36.32 83.75 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.52 83.97 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.15 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -62.66 -39.31 93.52 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 111.209 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -57.71 -36.15 71.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.685 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.18 -35.09 79.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.186 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 85.0 mt -55.88 -41.24 74.12 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.694 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -61.04 -41.87 97.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.138 0.494 . . . . 0.0 110.481 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.59 -25.8 66.79 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -112.14 1.29 16.19 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.936 0.789 . . . . 0.0 110.474 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 71.79 38.53 0.94 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.471 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 90.6 mt -115.52 163.37 15.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.134 0.492 . . . . 0.0 111.876 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.67 162.83 37.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.916 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -146.09 138.45 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.4 pt -128.14 132.03 68.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 110.706 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -103.6 143.45 32.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 8.8 m-20 -80.84 168.71 18.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.346 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -126.98 151.42 48.57 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.705 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.423 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 87.2 m95 -143.41 94.15 2.57 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.695 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -97.14 -14.0 21.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.858 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.17 141.33 40.17 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.123 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.6 78.95 0.27 Allowed 'General case' 0 CA--C 1.52 -0.189 0 O-C-N 123.89 0.744 . . . . 0.0 109.668 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -95.07 -1.76 51.49 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.101 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 p -67.6 34.68 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -172.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 37' ' ' ARG . 55.4 mtt85 95.0 35.41 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 124.627 1.171 . . . . 0.0 112.372 174.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -156.33 106.53 2.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.836 0.351 . . . . 0.0 110.757 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -108.12 161.9 14.55 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.821 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 31' ' ' TRP . 64.4 m -137.15 158.4 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.035 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -144.65 133.52 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.491 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 43.5 ttm180 -125.3 140.17 53.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.748 0.308 . . . . 0.0 110.988 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.99 115.74 30.75 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -116.02 125.29 52.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.398 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mm -114.91 129.38 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -132.86 167.12 20.78 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.789 0.328 . . . . 0.0 110.781 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -102.85 147.61 26.68 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.803 0.811 . . . . 0.0 111.759 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -72.52 12.56 0.46 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.493 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 t -131.97 19.41 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.841 0.829 . . . . 0.0 108.891 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.1 -29.93 10.85 Favored Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.174 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -59.64 172.83 0.63 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.402 0.62 . . . . 0.0 112.459 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -127.03 144.69 50.96 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.45 -61.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.335 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -164.95 167.13 18.85 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -152.48 147.64 26.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -150.43 142.94 24.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -121.75 131.42 54.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.051 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -126.65 137.81 53.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.355 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -146.25 126.8 14.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -172.25 134.51 0.71 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -87.95 77.37 8.48 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.849 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 13.2 t70 -147.17 112.24 5.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.54 172.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -59.61 -44.9 93.26 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.16 -55.71 9.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.09 0.472 . . . . 0.0 112.114 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.62 -39.47 83.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.319 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.613 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -55.77 -56.51 19.71 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.322 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.87 -38.27 90.18 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -60.41 -47.36 86.44 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.912 0.386 . . . . 0.0 110.705 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.89 -42.06 92.98 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.724 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.2 m -66.42 -44.8 81.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 t -73.58 -29.4 62.38 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.679 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.65 -52.12 65.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -57.18 -31.45 65.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.23 -38.07 87.79 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.189 0.518 . . . . 0.0 111.356 -176.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -64.17 -37.46 87.56 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -31.74 71.99 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ptp -76.71 -22.24 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -59.87 -58.12 9.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.95 -45.25 82.46 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -49.62 -39.36 35.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.72 -46.38 85.68 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.252 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -39.37 79.65 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.673 0.273 . . . . 0.0 111.211 175.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.52 -38.59 91.7 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.926 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -130.72 50.73 2.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.771 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.266 1.957 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.877 177.88 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.949 0.405 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.94 -68.7 1.55 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.228 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.35 146.0 28.34 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -133.13 162.61 31.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.175 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -146.46 -71.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.909 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -78.74 159.64 27.84 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.881 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.17 147.38 45.92 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.309 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -175.47 -44.97 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 111.448 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.7 mt -66.23 -25.81 67.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.877 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.84 73.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.763 0.315 . . . . 0.0 110.647 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -40.52 71.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.042 0.449 . . . . 0.0 110.81 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.89 -47.99 83.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.503 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 57.3 mtmt -60.55 -36.78 79.3 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.22 62.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.07 68.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.725 0.298 . . . . 0.0 111.768 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -59.36 -45.65 90.82 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.04 -176.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.94 -34.5 78.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.038 0.447 . . . . 0.0 111.063 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -71.84 -38.09 70.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.48 -43.47 98.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.252 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.05 -42.0 97.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.416 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -62.66 -11.82 19.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -112.2 -0.64 15.46 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.663 1.119 . . . . 0.0 109.499 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 68.01 57.18 0.51 Allowed 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.694 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -136.68 167.53 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.087 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.1 152.5 35.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.897 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.48 131.19 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.785 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -133.42 131.45 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 112.065 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -124.24 158.78 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.361 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -143.28 145.58 32.86 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -149.82 118.32 6.51 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.622 0.576 . . . . 0.0 110.786 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -130.68 103.31 6.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.933 0.397 . . . . 0.0 110.746 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -104.03 124.84 49.76 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.29 -39.14 82.19 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.3 167.73 13.94 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 121.626 -0.671 . . . . 0.0 110.28 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -92.76 -11.96 32.53 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 p -98.14 1.81 47.89 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -101.87 160.92 14.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.382 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 tptp -77.84 144.61 36.89 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.65 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -74.0 169.7 16.94 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.463 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 p -142.87 152.67 42.37 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.955 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -137.34 117.73 16.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.298 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.552 ' HG2' HG23 ' A' ' 57' ' ' THR . 70.2 mtp180 -108.97 132.01 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.33 116.33 27.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -115.45 132.02 56.75 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 111.627 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.8 mm -118.89 131.46 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 116.328 -0.397 . . . . 0.0 109.961 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' A' ' 52' ' ' LEU . 43.2 mt-10 -148.9 170.39 18.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.589 0.233 . . . . 0.0 110.406 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 36.3 t70 -75.4 -170.49 1.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.583 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 1.8 mpp_? -98.56 -37.38 9.57 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -86.51 -72.84 0.48 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.66 72.61 0.15 Allowed Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.651 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.69 114.69 4.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.805 0.336 . . . . 0.0 110.287 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.663 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.3 pt? -72.73 140.09 47.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.991 0.424 . . . . 0.0 110.996 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.87 -61.95 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -164.12 165.23 22.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.55 0.214 . . . . 0.0 110.677 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.1 p -140.06 129.42 23.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.077 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.4 t -139.41 137.9 36.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 0.0 111.562 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.552 HG23 ' HG2' ' A' ' 42' ' ' ARG . 99.4 m -120.45 124.23 44.93 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.938 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -109.01 116.64 32.39 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 23.0 p90 -159.45 122.42 3.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 71.7 t60 -179.56 -70.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 120.546 -0.462 . . . . 0.0 112.078 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.28 163.81 17.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.436 -174.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 63' ' ' GLU . 33.5 t70 -42.74 172.94 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.789 1.236 . . . . 0.0 113.629 -177.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.412 ' H ' ' CG ' ' A' ' 62' ' ' ASP . 14.5 pt-20 -61.77 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.839 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.43 -55.59 31.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.262 0.553 . . . . 0.0 110.56 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.68 -41.61 80.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.708 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -57.18 14.02 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.595 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -64.49 -34.37 78.06 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.67 -45.04 90.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.253 0.549 . . . . 0.0 109.669 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.0 mtm -62.93 -40.26 97.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.951 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.84 -47.35 75.26 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -62.56 -40.27 96.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.92 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.09 -25.66 66.33 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.505 0.669 . . . . 0.0 110.825 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.432 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 70.7 t90 -73.29 -44.03 59.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.31 -171.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.64 -45.9 67.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.828 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -60.72 -29.23 69.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.432 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 2.7 t60 -57.26 -43.17 82.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.831 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.7 ptp -79.06 -21.3 47.0 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -57.65 -48.01 80.67 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.58 -44.51 96.89 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -173.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.81 -35.91 69.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.219 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.52 -5.86 59.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.271 0.558 . . . . 0.0 111.018 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -85.32 -13.62 49.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.417 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.68 1.05 35.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.267 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -124.98 84.48 2.29 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.263 1.798 0 CA-C-O 117.877 -1.059 . . . . 0.0 112.789 -174.474 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.961 0.41 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.33 -42.23 97.83 Favored Glycine 0 CA--C 1.521 0.461 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.454 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.99 139.21 41.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.781 0.324 . . . . 0.0 111.013 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.9 pt? -136.93 145.62 44.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.392 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -111.21 147.24 35.42 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.776 0.322 . . . . 0.0 111.462 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -82.72 144.24 30.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.51 -34.18 2.72 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.612 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -88.1 -13.44 41.39 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.357 0.598 . . . . 0.0 110.517 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.76 -2.53 11.37 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -51.4 70.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.33 -34.36 25.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.09 0.472 . . . . 0.0 110.55 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -57.38 -48.42 79.1 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.084 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -62.84 -33.41 75.19 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.89 79.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.96 79.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.704 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 m -58.45 -40.88 83.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.867 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -62.82 -31.66 72.71 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -68.68 -36.49 78.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -57.03 -33.27 67.03 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.056 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.55 -33.62 72.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -76.7 -15.04 59.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.06 -3.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.27 56.19 5.32 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 123.449 0.468 . . . . 0.0 111.328 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 pp -147.51 172.54 13.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.402 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.3 151.64 31.15 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -116.86 130.18 72.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.034 0.445 . . . . 0.0 111.885 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.2 pt -108.19 138.1 36.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -107.78 148.59 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.501 . . . . 0.0 111.889 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.3 125.07 31.85 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.337 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -145.63 115.49 7.34 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.114 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.4 ' H ' ' H ' ' A' ' 32' ' ' TYR . 6.3 p90 168.15 22.12 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.546 1.138 . . . . 0.0 110.054 175.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' H ' ' H ' ' A' ' 31' ' ' TRP . 87.5 t80 -102.24 121.88 43.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.69 -175.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 60.8 102.59 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.633 0.773 . . . . 0.0 112.063 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 37' ' ' ARG . . . -168.19 86.8 0.21 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.993 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' CD2' HG23 ' A' ' 36' ' ' THR . 69.1 t80 -64.54 -67.67 0.42 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.711 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.445 HG23 ' CD2' ' A' ' 35' ' ' TYR . 10.7 p -117.5 -9.11 10.9 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.657 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 24.3 ptt-85 -96.32 -174.95 3.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -177.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -149.42 70.12 1.07 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -140.05 98.06 3.37 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.2 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 p -176.87 121.53 0.13 Allowed 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -139.88 125.27 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -113.53 134.59 54.61 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.59 0.233 . . . . 0.0 111.573 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.44 110.2 22.34 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -106.35 125.9 51.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.036 0.446 . . . . 0.0 111.539 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.8 mm -106.12 126.56 61.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -139.89 144.98 37.45 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.84 154.28 36.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.354 0.597 . . . . 0.0 111.305 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.79 -30.7 63.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.826 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -92.43 22.66 4.42 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.824 -0.547 . . . . 0.0 111.33 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.87 55.48 9.46 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.863 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -135.94 135.59 39.74 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.7 pt? -73.66 147.89 43.3 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 122.203 -0.311 . . . . 0.0 110.518 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.45 -44.61 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' OD2' ' HZ2' ' A' ' 73' ' ' TRP . 41.0 t0 -176.66 173.51 1.98 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.307 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -148.26 143.7 27.15 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.487 0.315 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.5 m -150.03 143.0 24.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.464 0.173 . . . . 0.0 110.728 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.6 m -128.75 130.27 46.84 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -127.51 121.11 29.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -151.44 111.15 4.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.101 0.953 . . . . 0.0 113.164 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -171.85 153.74 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -88.28 80.65 7.48 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 119.104 -1.039 . . . . 0.0 112.431 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -144.6 104.05 4.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.711 171.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -55.29 -49.47 72.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -177.387 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -37.53 51.51 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.413 -0.915 . . . . 0.0 112.686 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.36 -41.72 91.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.76 -52.76 64.14 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.7 -34.6 78.69 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -57.98 -51.08 71.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.078 0.466 . . . . 0.0 110.605 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.26 -36.64 80.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.05 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.08 -49.38 76.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -72.55 -37.99 68.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.63 -33.09 75.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.141 0.496 . . . . 0.0 111.692 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.409 ' HZ2' ' OD2' ' A' ' 54' ' ' ASP . 78.6 t90 -72.76 -38.18 67.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.685 0.755 . . . . 0.0 110.14 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 77' ' ' MET . 79.4 mt -65.75 -41.68 91.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.593 -177.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 49.2 t30 -61.53 -37.57 84.21 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.296 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -37.05 73.15 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 74' ' ' LEU . 20.8 ptp -76.53 -21.95 55.05 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.562 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 28.9 m-85 -59.09 -51.43 70.08 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.81 -46.8 89.1 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.51 -39.81 85.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.25 2.78 42.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.114 0.483 . . . . 0.0 112.109 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 61.4 mttm -86.04 -14.13 45.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.068 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.76 -38.42 89.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.089 0.471 . . . . 0.0 110.468 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -129.17 94.84 3.9 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.207 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.489 ' HA ' ' HE3' ' A' ' 85' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.518 0 CA-C-O 117.293 -1.337 . . . . 0.0 110.955 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptp . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.159 0.504 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.22 32.05 56.43 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.28 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -79.01 94.24 5.25 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.962 0.41 . . . . 0.0 111.855 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.79 129.81 55.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.877 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -117.96 -43.59 2.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.793 0.33 . . . . 0.0 110.987 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -88.17 -179.18 6.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.429 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.07 -131.81 6.27 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.391 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 69.4 3.85 4.36 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.506 0.722 . . . . 0.0 111.731 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.39 6.38 37.67 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -53.25 57.71 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.42 -27.87 29.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.368 0.604 . . . . 0.0 110.618 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -58.24 -46.49 85.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.583 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -62.35 -33.82 75.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.23 -26.94 53.14 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -24.29 67.69 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 m -59.03 -42.56 90.48 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.51 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.49 -36.47 82.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.135 0.493 . . . . 0.0 111.007 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.36 -35.78 74.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.378 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD23 ' OH ' ' A' ' 78' ' ' TYR . 91.3 mt -58.75 -42.68 89.43 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.951 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.86 -31.07 72.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.434 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -54.88 -44.34 74.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.1 tp -107.7 12.12 27.78 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 65.52 58.42 0.83 Allowed 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.222 0.534 . . . . 0.0 112.277 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 4.3 pp -145.51 171.23 14.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.86 -179.46 6.71 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.495 0.183 . . . . 0.0 111.495 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 p -147.44 139.35 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.634 0.373 . . . . 0.0 110.302 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -129.78 141.1 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -125.28 152.9 44.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' OD2' ' HD2' ' A' ' 42' ' ' ARG . 35.0 m-20 -114.98 136.46 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.924 -177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -148.11 116.19 6.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.617 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 10.9 t90 48.87 77.33 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.41 0.684 . . . . 0.0 112.759 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -95.94 -80.36 0.43 Allowed 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.674 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -148.09 50.95 1.03 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.33 170.54 15.78 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.461 -0.774 . . . . 0.0 110.032 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -70.58 -3.65 19.2 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.299 0.64 . . . . 0.0 112.459 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -84.54 35.18 0.54 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 -175.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.617 ' HA ' ' CD1' ' A' ' 31' ' ' TRP . 4.9 tmm_? -36.25 -32.54 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.769 1.628 . . . . 0.0 113.961 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -176.3 0.26 Allowed 'General case' 0 CA--C 1.555 1.163 0 CA-C-O 121.279 0.562 . . . . 0.0 112.34 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.25 122.75 19.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 p -154.71 139.06 16.7 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.5 mt -133.69 128.57 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-O 120.667 0.27 . . . . 0.0 111.319 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HD2' ' OD2' ' A' ' 29' ' ' ASP . 31.7 ttm180 -124.99 136.22 53.52 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.836 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.81 121.49 43.76 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.718 0.407 . . . . 0.0 110.448 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -116.55 119.97 37.26 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.95 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.5 mm -108.77 130.09 62.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.5 160.05 43.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.99 163.45 17.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -80.44 12.58 2.93 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 123.267 0.627 . . . . 0.0 112.455 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -116.86 15.57 15.26 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.988 0.423 . . . . 0.0 109.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.18 3.85 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.621 -0.799 . . . . 0.0 111.504 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -153.56 115.91 4.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.6 pt? -71.74 140.34 49.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.633 0.254 . . . . 0.0 110.555 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.1 mm -101.58 -51.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.739 0.305 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -164.85 166.55 19.56 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -148.54 147.12 28.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.661 0.385 . . . . 0.0 110.542 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.6 t -147.91 139.87 24.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.2 m -128.74 138.43 52.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -122.21 138.95 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.627 0.251 . . . . 0.0 111.246 -177.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 88.5 m-85 -132.72 125.76 30.96 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 6.6 t-80 170.4 121.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -77.75 78.46 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.191 -1.404 . . . . 0.0 110.303 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.656 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 1.1 m-20 -144.66 123.0 12.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.938 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.22 -58.62 4.99 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 120.844 0.354 . . . . 0.0 111.644 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.99 -43.99 77.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.063 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 87.3 t -62.42 -44.31 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.538 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.656 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -60.62 -53.18 60.64 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.804 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -59.92 -43.59 94.81 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -56.76 -43.14 80.5 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.583 0.23 . . . . 0.0 111.474 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.8 mtm -68.56 -41.08 80.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.236 0.541 . . . . 0.0 111.24 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.09 -38.18 82.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -173.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -74.56 -32.07 62.3 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -172.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -60.81 -53.3 58.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.542 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 81.2 t90 -55.61 -30.62 61.23 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.52 -44.75 95.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.735 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -75.39 -21.62 58.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.553 0.692 . . . . 0.0 110.639 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.542 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 5.8 t60 -56.64 -43.17 80.01 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.921 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.446 ' HB3' ' HE2' ' A' ' 77' ' ' MET . 17.8 ptp -67.15 -32.9 74.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.608 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 74.3 m-85 -59.07 -43.84 91.79 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.89 -30.5 70.91 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.95 -39.47 26.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.2 mt -78.5 -19.03 53.89 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.8 mttt -62.71 -35.26 79.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.537 0.208 . . . . 0.0 111.543 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -63.35 -37.6 87.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 111.612 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -133.21 98.06 4.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.516 0.674 . . . . 0.0 111.326 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt . . . . . 0 C--O 1.264 1.817 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.711 -179.504 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.993 0.425 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.71 -4.86 75.36 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.997 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -65.88 -41.81 91.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 110.634 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.1 mt -98.64 151.01 21.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.988 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -106.52 133.54 51.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.672 0.272 . . . . 0.0 110.936 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.445 ' H ' ' HE3' ' A' ' 13' ' ' LYS . 2.6 m -151.39 157.88 43.0 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.31 -174.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.19 -19.19 39.95 Favored Glycine 0 N--CA 1.464 0.529 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -76.66 -80.56 0.09 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.382 -0.909 . . . . 0.0 110.035 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.689 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 97.3 mt -61.9 10.57 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.06 -52.45 58.49 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.448 0.567 . . . . 0.0 112.482 -175.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.77 83.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.386 0.612 . . . . 0.0 110.808 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.17 -43.53 78.45 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.689 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 65.3 mttm -55.49 -35.06 65.15 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -29.17 65.21 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.49 -23.51 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.9 m -57.05 -47.29 81.32 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -66.99 -34.96 78.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.035 0.445 . . . . 0.0 111.63 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -70.93 -35.51 72.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -54.66 -37.07 65.27 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.225 0.61 . . . . 0.0 112.22 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -60.88 -34.38 74.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 111.09 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -76.8 -9.42 58.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -110.4 -6.56 14.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.508 0.67 . . . . 0.0 110.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 62.89 48.32 4.05 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.926 172.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.17 171.26 15.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.5 -179.04 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.055 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -149.73 143.07 17.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.386 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.87 136.72 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.032 0.444 . . . . 0.0 111.044 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -116.11 152.48 33.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -126.51 127.46 45.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.338 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -159.92 129.77 5.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.941 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -163.36 3.84 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.05 0.452 . . . . 0.0 110.989 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -89.99 157.46 17.82 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.938 0.399 . . . . 0.0 111.756 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.02 -158.41 0.32 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.183 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.84 75.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 -175.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.09 -47.18 68.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.798 0.332 . . . . 0.0 110.722 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.1 p -107.9 25.44 11.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 68.9 94.45 0.07 Allowed 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.174 0.59 . . . . 0.0 111.181 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -101.91 -60.38 1.54 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 66.04 94.58 0.06 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.14 128.47 36.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.714 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.92 125.86 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.825 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.51 ' HG2' HG23 ' A' ' 57' ' ' THR . 60.9 mtp180 -107.14 128.92 54.83 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.918 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 tp -109.98 111.06 22.22 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.512 ' HE ' ' CD ' ' A' ' 46' ' ' GLU . 25.9 ttt180 -110.95 128.55 55.87 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.4 mm -108.83 127.86 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' CD ' ' HE ' ' A' ' 44' ' ' ARG . 56.5 mt-10 -149.36 167.4 26.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.086 0.47 . . . . 0.0 111.769 178.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' ASN . 28.1 t70 -90.78 169.09 11.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.249 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.591 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -96.03 9.45 40.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.2 t -132.66 36.3 3.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.818 -0.551 . . . . 0.0 111.498 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 57.94 4.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.607 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 47.1 t30 -151.9 105.74 3.14 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 3.7 pp -75.25 146.05 41.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.77 -51.99 7.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -176.87 176.82 1.4 Allowed 'General case' 0 C--O 1.238 0.455 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -145.14 143.72 30.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.4 t -149.43 143.79 25.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.816 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.51 HG23 ' HG2' ' A' ' 42' ' ' ARG . 85.1 m -128.39 132.31 48.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.58 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.38 114.61 22.08 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.738 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.25 0.547 . . . . 0.0 111.245 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.5 t60 176.53 122.44 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -81.05 80.26 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.627 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 11.8 t70 -143.69 104.36 4.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.358 171.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.84 -50.45 64.53 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.68 -39.75 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -51.9 -56.48 13.82 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.165 -173.184 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.55 -29.47 68.04 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.01 -44.1 97.91 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.8 mtm -66.68 -36.63 82.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.1 m -63.8 -44.86 92.06 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 t -76.04 -33.2 59.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 110.938 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.93 -28.71 69.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 62.8 t90 -75.22 -37.81 60.95 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.828 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.32 -46.43 76.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.544 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.57 -31.63 72.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 38.5 t60 -55.64 -44.36 77.1 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.015 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 ptp -78.44 -22.66 47.32 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.604 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 52.4 m-85 -58.05 -46.02 86.07 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.26 -50.56 73.15 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -64.55 -39.97 94.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.587 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 85' ' ' LYS . 97.1 mt -81.64 -1.83 48.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -175.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 97.0 mttt -81.02 -20.53 41.54 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.683 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -104.87 -6.9 19.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -157.84 82.85 0.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.555 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 81' ' ' LEU . 14.5 ptmm? . . . . . 0 C--O 1.263 1.813 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.798 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 ttp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 121.068 0.461 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.94 154.83 16.39 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.969 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.478 ' HD3' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -133.13 13.88 4.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.862 0.363 . . . . 0.0 111.167 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -122.41 134.24 54.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.944 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -114.74 128.21 56.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -163.94 157.09 18.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.754 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.19 -22.23 70.69 Favored Glycine 0 C--N 1.335 0.497 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -81.76 -6.88 59.45 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.792 0.806 . . . . 0.0 108.883 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -117.95 -9.4 10.61 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.404 -1.271 . . . . 0.0 113.306 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.23 64.88 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.15 -39.55 60.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.163 0.506 . . . . 0.0 111.246 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.37 -51.56 69.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.81 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' A' ' 16' ' ' THR . 75.2 mmtt -66.79 -34.69 78.37 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -29.3 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 13' ' ' LYS . 96.6 m -61.31 -44.65 96.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.806 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.09 -27.63 68.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.099 0.476 . . . . 0.0 111.287 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 14.7 mptt -68.94 -34.41 75.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.656 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.38 -37.89 68.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.272 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.11 -41.72 97.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.13 -8.67 56.8 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.436 0.636 . . . . 0.0 111.007 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 81' ' ' LEU . 28.1 tp -110.04 -5.53 15.39 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.456 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 60.23 46.2 10.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.086 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -150.04 178.16 9.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.562 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.04 145.63 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.595 0.236 . . . . 0.0 110.583 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -95.64 119.6 43.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 pt -97.2 129.49 47.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.828 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -117.81 157.17 27.07 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.159 0.504 . . . . 0.0 111.318 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 33.4 t70 -82.02 154.68 25.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.864 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -164.43 -179.71 6.19 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.9 t90 53.68 151.91 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CE2' ' HB3' ' A' ' 34' ' ' ALA . 5.8 t80 -149.19 129.99 14.21 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.863 177.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.5 -13.09 61.7 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.497 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -92.71 141.02 28.93 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.529 -178.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -86.25 -7.61 58.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.552 . . . . 0.0 110.087 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.0 p -71.79 -10.15 59.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.503 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 47.87 97.9 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.654 1.182 . . . . 0.0 114.156 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -125.32 155.09 40.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.625 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.24 137.48 54.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.072 -175.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 p -171.74 104.51 0.19 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.145 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -127.95 111.76 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.694 0.283 . . . . 0.0 110.4 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 73.8 mtt85 -112.09 135.27 52.96 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.79 111.29 22.36 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.375 0.27 . . . . 0.0 111.516 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -107.35 122.73 47.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.7 0.286 . . . . 0.0 111.103 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.45 127.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.717 0.294 . . . . 0.0 111.127 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HA ' HG12 ' A' ' 53' ' ' ILE . 10.4 pt-20 -152.28 158.51 42.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.47 158.38 35.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.529 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -74.77 9.36 1.88 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -112.65 6.96 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.44 -18.9 56.07 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 113.432 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -62.56 120.52 11.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.852 0.326 . . . . 0.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.6 pp -69.99 146.69 50.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.312 0.577 . . . . 0.0 112.307 -177.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 46' ' ' GLU . 46.7 mm -110.98 -51.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.843 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -173.17 175.46 3.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.094 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -149.67 140.0 22.31 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -142.06 141.67 32.79 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 111.69 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.9 m -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -107.61 114.63 28.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.46 127.99 15.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 172.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.494 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 5.3 t-80 -174.82 -155.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.96 -176.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 71.8 m-70 -61.7 163.78 6.88 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.015 0.926 . . . . 0.0 110.407 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' VAL . 16.4 t70 -43.16 159.56 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -35.63 -32.58 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.612 1.965 . . . . 0.0 115.862 -175.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -55.97 -43.21 77.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 118.369 0.531 . . . . 0.0 111.352 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 62' ' ' ASP . 8.7 p -73.94 -32.42 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.3 mm? -60.93 -51.89 67.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -172.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.48 -36.1 82.63 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.02 -43.44 98.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 76.1 mtm -67.94 -38.04 82.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.042 0.449 . . . . 0.0 111.057 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.8 m -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.82 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -73.1 -41.54 63.93 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.662 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.92 -31.2 71.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 111.529 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -75.6 -42.64 51.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.015 0.912 . . . . 0.0 109.124 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.53 -41.41 84.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.628 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -62.99 -36.05 82.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.06 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.72 -42.52 75.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.667 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.8 ptp -77.05 -21.94 53.71 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 18' ' ' LYS . 44.1 m-85 -59.81 -47.17 86.79 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -40.29 76.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.75 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.69 -39.71 85.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.435 HD12 HD21 ' A' ' 22' ' ' LEU . 96.7 mt -78.91 -7.69 58.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 111.103 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -87.9 -15.38 36.83 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.716 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.59 -23.95 61.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.066 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -108.95 110.42 21.72 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.187 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 C--O 1.261 1.701 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.644 178.026 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.996 0.427 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.71 48.64 3.9 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.167 -0.54 . . . . 0.0 113.132 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -127.96 127.8 43.94 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt -117.14 151.12 37.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.187 0.518 . . . . 0.0 112.136 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -138.0 157.94 45.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.455 176.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -83.06 -76.62 0.27 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.621 0.248 . . . . 0.0 111.501 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.7 54.51 0.57 Allowed Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.525 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -128.32 -61.9 1.06 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.368 0.604 . . . . 0.0 110.387 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.42 3.93 0.61 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.9 67.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.6 -26.75 32.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.493 0.663 . . . . 0.0 110.334 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.089 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.43 -39.46 83.6 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.43 96.59 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.04 61.87 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -52.41 -44.32 65.32 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.32 -25.08 67.45 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.0 -35.86 79.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.715 0.293 . . . . 0.0 111.352 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.3 -34.3 70.41 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.511 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.77 -30.75 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -77.62 -9.3 58.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.112 0.482 . . . . 0.0 110.706 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD23 HD21 ' A' ' 24' ' ' LEU . 33.0 tp -115.44 -5.9 12.28 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.776 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 58.36 57.45 3.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.672 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD21 HD23 ' A' ' 22' ' ' LEU . 1.6 pp -147.71 176.69 9.9 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.33 177.57 6.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.139 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' CG2' HD11 ' A' ' 43' ' ' LEU . 3.7 p -151.13 124.95 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.579 0.228 . . . . 0.0 111.086 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.62 147.56 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 121.082 0.468 . . . . 0.0 112.21 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -121.39 163.39 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.544 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 77.1 m-20 -104.15 120.28 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.35 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.04 -179.69 7.46 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -68.19 153.84 42.93 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.916 0.389 . . . . 0.0 111.703 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -99.08 5.71 46.87 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 61.59 26.95 16.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.996 0.518 . . . . 0.0 111.422 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.66 106.6 13.71 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -50.21 -17.1 0.38 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 174.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -92.62 -3.84 54.31 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.546 0.688 . . . . 0.0 110.172 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -112.65 131.37 55.67 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -106.45 115.47 30.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.474 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -152.87 175.69 12.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.977 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t -157.67 -90.08 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.6 mm -125.26 111.37 27.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 35.3 mtp-105 -109.45 126.43 53.48 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD11 ' CG2' ' A' ' 26' ' ' VAL . 28.9 tp -104.88 111.63 24.45 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.019 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 ttm105 -108.77 125.08 51.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.083 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.68 126.43 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.42 -178.4 5.6 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 51' ' ' ASN . 28.5 t70 -124.0 150.38 44.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.227 0.537 . . . . 0.0 112.165 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.705 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -94.38 11.56 30.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.792 -178.554 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 23.0 t -118.04 20.38 13.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.82 2.95 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.126 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 65.2 m-80 -147.95 154.8 40.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.71 127.24 56.07 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.4 mm -102.43 -62.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -174.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -166.22 167.89 15.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.705 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 m -151.86 142.3 22.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.231 0.612 . . . . 0.0 109.686 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 m -151.73 150.94 30.77 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.57 0.224 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -120.37 124.02 44.51 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.23 119.57 38.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -154.33 129.64 9.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.607 -1.256 . . . . 0.0 107.607 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.506 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.9 t-80 -171.41 -166.95 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.396 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.506 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -61.11 167.33 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 124.381 1.072 . . . . 0.0 109.997 174.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.558 ' O ' HG12 ' A' ' 65' ' ' VAL . 24.5 t70 -36.66 142.37 0.1 Allowed 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -39.4 -24.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.853 2.061 . . . . 0.0 114.972 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.4 -50.55 67.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 62' ' ' ASP . 14.8 p -75.3 -33.62 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-O 121.161 0.505 . . . . 0.0 111.753 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.8 -56.57 16.26 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -172.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.76 -25.39 62.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.94 -42.02 93.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.761 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.02 -35.78 78.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.265 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.26 -41.78 98.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.9 t -67.5 -37.77 83.33 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.273 0.559 . . . . 0.0 110.665 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.22 -27.57 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 83.2 t90 -73.94 -44.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.623 -175.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.04 -47.98 78.06 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.36 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 40.5 m-80 -61.27 -32.72 72.54 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.978 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 3.3 t60 -55.42 -41.0 72.17 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.6 ptp -77.05 -21.35 54.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 39.5 m-85 -55.87 -50.99 69.11 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.48 -41.28 98.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.02 0.438 . . . . 0.0 111.472 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.435 ' O ' ' HB3' ' A' ' 84' ' ' TRP . 96.3 mt-30 -58.74 -30.63 67.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.491 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.1 mt -92.92 -2.7 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.7 mttt -85.5 -49.15 8.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -134.9 42.65 2.78 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.435 ' HB3' ' O ' ' A' ' 80' ' ' GLN . 13.4 p-90 -81.77 47.83 1.13 Allowed 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.973 -1.079 . . . . 0.0 111.688 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.5 pttt . . . . . 0 C--O 1.262 1.743 0 C-N-CA 124.979 1.311 . . . . 0.0 113.856 177.134 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.63 ' HB2' ' O ' ' A' ' 31' ' ' TRP . 97.7 mmm . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.565 0.222 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.89 -174.06 13.28 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.493 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' HA ' ' OD1' ' A' ' 30' ' ' ASP . 42.1 ttp180 -171.16 114.31 0.4 Allowed 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.405 0.682 . . . . 0.0 109.411 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -89.14 147.91 23.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.045 0.45 . . . . 0.0 111.308 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -143.21 131.75 22.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.85 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -166.43 -158.69 0.33 Allowed 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.4 -157.12 25.87 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.3 m120 71.11 -9.97 0.81 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.317 0.647 . . . . 0.0 112.016 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.74 10.27 6.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.53 70.36 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.27 -28.87 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.56 -46.95 85.81 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.384 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -59.98 -35.08 74.24 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.118 0.567 . . . . 0.0 112.478 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.87 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.844 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.02 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 m -67.07 -42.92 83.87 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.711 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.25 -30.46 69.45 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.367 0.604 . . . . 0.0 110.985 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -62.71 -33.62 75.48 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.512 HD23 ' OH ' ' A' ' 78' ' ' TYR . 91.8 mt -53.1 -48.56 67.71 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.23 0.331 . . . . 0.0 111.631 -173.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.53 -30.51 70.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 111.272 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.2 -32.84 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.633 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.6 tp -111.12 5.75 20.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.972 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 71.37 42.15 0.71 Allowed 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.137 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.93 166.7 22.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.962 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.08 151.36 28.25 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.399 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.91 138.32 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -116.24 140.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 120.928 0.394 . . . . 0.0 110.271 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -119.82 156.33 30.87 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.066 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.55 136.22 30.91 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.5 ' OD1' ' HA ' ' A' ' 3' ' ' ARG . 4.4 p-10 -149.15 136.47 20.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.368 0.417 . . . . 0.0 109.996 -178.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.63 ' O ' ' HB2' ' A' ' 1' ' ' MET . 71.5 t-105 92.44 108.51 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.098 0.959 . . . . 0.0 110.742 175.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -149.36 -163.89 1.89 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.572 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.13 116.44 4.55 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.755 0.312 . . . . 0.0 110.464 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 179.93 80.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.199 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -59.66 -37.82 79.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 21.7 p -67.56 -9.5 43.25 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 36' ' ' THR . 67.6 mtm180 69.61 -173.77 0.18 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.835 0.454 . . . . 0.0 111.215 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 67.45 50.94 0.89 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.223 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -78.5 177.25 8.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.086 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 p -113.72 -162.52 0.81 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.67 135.01 29.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.898 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.17 136.07 53.92 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.657 0.265 . . . . 0.0 111.238 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -108.2 124.6 50.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.288 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -121.93 123.58 42.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.283 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.8 mm -97.43 132.33 42.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -132.83 145.47 51.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.58 162.11 19.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -85.61 6.44 27.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -117.42 20.32 13.64 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.07 -33.77 4.55 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.554 -0.748 . . . . 0.0 113.204 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 153.52 2.5 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.37 0.605 . . . . 0.0 112.451 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 52' ' ' LEU . 1.3 pt? -107.73 137.14 46.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.86 -61.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -164.87 169.54 16.46 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.382 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -145.05 141.31 28.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.379 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 136.35 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 110.707 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.2 m -120.22 128.79 53.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.673 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.84 131.42 55.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -141.88 110.72 6.2 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.557 0.694 . . . . 0.0 112.081 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -160.98 141.74 11.45 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -94.31 76.77 3.94 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 117.795 -1.562 . . . . 0.0 111.877 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' HB3' ' HB ' ' A' ' 65' ' ' VAL . 18.0 t70 -146.52 117.92 7.93 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.211 171.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -57.75 -49.39 76.73 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.97 -48.72 62.46 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 72.0 t -60.38 -42.84 92.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.151 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.487 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 0.4 OUTLIER -56.52 -56.83 16.31 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.716 0.293 . . . . 0.0 110.744 -174.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -58.39 -45.18 88.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.58 -44.94 95.05 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.813 0.34 . . . . 0.0 111.606 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.487 ' HE2' ' HA ' ' A' ' 66' ' ' LEU . 73.2 mtm -55.33 -42.35 73.65 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.157 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.65 -40.4 92.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 t -76.49 -34.76 58.64 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.34 -51.41 67.73 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.459 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 93.0 t90 -57.36 -35.85 70.46 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.95 -43.66 95.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 111.282 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.67 -35.99 82.82 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.814 0.816 . . . . 0.0 109.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 7.6 t60 -56.29 -30.85 63.04 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.204 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtp -64.05 -40.06 95.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.397 0.618 . . . . 0.0 110.454 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.512 ' OH ' HD23 ' A' ' 19' ' ' LEU . 95.2 m-85 -64.05 -38.12 89.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.67 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.19 -22.88 67.16 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.544 -176.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -95.18 -41.7 8.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.111 0.481 . . . . 0.0 110.664 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.55 -33.04 74.24 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.428 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.41 -36.87 85.25 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.905 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.64 -39.21 84.64 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -98.63 138.67 35.49 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 C--O 1.265 1.889 0 CA-C-O 117.53 -1.224 . . . . 0.0 110.71 -175.114 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m120 . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.237 0.541 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 77.4 mt -90.71 -0.8 57.82 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.145 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.89 72.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.008 0.432 . . . . 0.0 110.936 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.5 -49.01 78.9 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.89 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 35.1 mmtp -52.82 -37.03 59.42 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.6 76.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.04 74.01 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -50.21 -39.58 44.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -58.7 -31.67 68.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.905 0.384 . . . . 0.0 111.519 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.32 -35.98 76.49 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.096 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.26 -45.55 83.88 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.235 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.26 -42.0 96.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.324 . . . . 0.0 111.265 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.94 -10.41 58.48 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 81' ' ' LEU . 41.5 tp -108.88 -1.8 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 t70 63.53 57.38 1.47 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.825 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.68 175.12 9.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.988 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.16 149.66 48.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.614 0.245 . . . . 0.0 110.413 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -146.22 137.33 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.621 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -135.32 137.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.029 0.442 . . . . 0.0 110.631 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.96 151.79 30.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.28 122.15 37.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.334 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.836 -177.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 CA--C 1.533 0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.0 mm -120.88 106.8 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -107.29 126.47 52.47 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.584 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -115.36 125.55 53.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -126.77 136.29 52.2 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.906 0.384 . . . . 0.0 111.851 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.0 mm -116.38 137.96 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.95 172.0 19.24 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.59 0.632 . . . . 0.0 110.78 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.603 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 35.0 t70 -86.54 -159.87 0.52 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.741 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.603 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -100.94 -35.25 9.46 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 23.3 t -85.84 -55.53 3.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.182 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.18 -31.1 0.04 OUTLIER Glycine 0 C--N 1.332 0.331 0 C-N-CA 119.275 -1.44 . . . . 0.0 114.52 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.4 111.55 0.81 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 117.293 0.547 . . . . 0.0 111.829 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.1 pt? -79.45 141.21 36.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.385 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.2 mm -97.8 -61.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.617 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -170.55 172.3 6.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.55 0.214 . . . . 0.0 110.63 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -153.75 153.39 32.12 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 t -150.64 143.13 24.39 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.7 m -117.75 129.15 55.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -113.77 128.81 56.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -150.51 126.5 10.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.605 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.4 t-80 -173.63 -156.62 0.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -172.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.65 ' HB3' HG11 ' A' ' 65' ' ' VAL . 8.3 t-80 -61.55 166.35 4.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.605 0.762 . . . . 0.0 109.457 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 65' ' ' VAL . 32.0 m-20 -40.69 179.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.13 74.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 113.777 -1.556 . . . . 0.0 114.133 -168.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.47 -54.53 45.77 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.804 0.335 . . . . 0.0 111.523 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.65 HG11 ' HB3' ' A' ' 61' ' ' HIS . 9.9 p -67.37 -35.1 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -57.87 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.851 0.358 . . . . 0.0 110.307 -177.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.19 -36.73 73.53 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.78 -46.98 86.27 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.913 0.387 . . . . 0.0 110.17 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 74.5 mtm -60.41 -44.22 95.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.427 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.8 m -62.97 -50.78 69.43 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.0 t -65.31 -31.82 73.16 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.745 0.307 . . . . 0.0 111.249 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.92 -52.87 62.31 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.058 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.539 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 60.3 t90 -63.02 -36.69 84.39 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.955 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.6 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 27.1 t-20 -67.24 -30.52 70.45 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.315 0.579 . . . . 0.0 110.373 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.539 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 4.1 t60 -55.7 -43.72 76.71 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.025 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.7 ptp -76.98 -21.57 54.51 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.6 ' CD2' ' HA ' ' A' ' 75' ' ' ASN . 13.4 m-85 -53.26 -56.36 17.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.28 -43.4 98.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.181 0.515 . . . . 0.0 111.544 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.9 -42.16 75.6 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.953 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.424 ' HB2' HD21 ' A' ' 22' ' ' LEU . 96.4 mt -84.98 -8.67 58.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.87 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 65.6 mttm -83.84 -15.79 46.93 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.242 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.32 -0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 110.671 178.416 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 m120 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 mt -101.49 8.93 41.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.3 70.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.808 0.337 . . . . 0.0 111.233 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.37 -27.09 32.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 0.0 110.944 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.34 -44.38 97.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.77 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -60.71 -37.79 82.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.857 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.19 79.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.03 0.443 . . . . 0.0 110.525 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB2' HD21 ' A' ' 75' ' ' ASN . . . -78.37 -24.71 46.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.225 177.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.536 ' HA ' HD13 ' A' ' 19' ' ' LEU . 96.4 m -58.93 -42.3 89.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.961 0.504 . . . . 0.0 112.344 -177.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.56 -39.95 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.119 0.485 . . . . 0.0 110.888 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -53.89 -37.38 63.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.464 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 16' ' ' THR . 8.3 mp -61.02 -43.57 98.69 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.05 0.453 . . . . 0.0 110.455 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.51 -42.16 99.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.386 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -57.4 -50.3 73.45 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.12 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.42 4.34 35.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.94 57.47 2.57 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.337 0.589 . . . . 0.0 111.222 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 pp -141.61 176.63 8.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.639 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 19' ' ' LEU . . . -154.78 160.98 41.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.506 0.193 . . . . 0.0 110.776 -176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.41 147.84 31.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -130.63 138.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -116.74 127.83 54.74 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.427 0.632 . . . . 0.0 111.498 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.26 148.74 31.29 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.3 t . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.75 120.13 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.706 0.289 . . . . 0.0 110.858 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -120.59 116.91 26.27 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.28 128.57 44.25 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -127.68 121.97 31.77 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.748 0.309 . . . . 0.0 111.595 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.3 mm -108.39 130.66 60.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -151.52 145.92 25.52 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.77 170.7 10.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.391 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.1 12.3 1.2 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.206 0.527 . . . . 0.0 111.356 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -132.83 162.02 32.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.784 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.17 56.37 1.1 Allowed Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.05 -16.31 13.09 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.24 99.49 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 123.735 0.814 . . . . 0.0 112.815 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.29 -65.65 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.3 164.98 13.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.561 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.8 p -143.48 141.99 31.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.375 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 m -144.64 130.67 19.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.591 0.234 . . . . 0.0 111.037 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.9 m -112.01 129.22 56.27 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.25 125.78 41.54 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -160.44 119.55 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.144 172.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.435 ' CD2' ' H ' ' A' ' 61' ' ' HIS . 11.5 t60 -167.99 -133.88 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.301 -175.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.435 ' H ' ' CD2' ' A' ' 60' ' ' HIS . 1.4 t-80 -62.65 167.08 4.73 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.309 1.044 . . . . 0.0 110.977 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -39.78 170.17 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.679 1.192 . . . . 0.0 112.636 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.96 -23.23 61.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.744 -165.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.4 -50.99 70.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.212 0.53 . . . . 0.0 109.6 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.71 -43.27 80.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.292 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -46.46 90.6 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.06 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -71.78 -43.11 66.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.515 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -57.8 -41.96 83.22 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.62 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.3 mtm -66.16 -46.8 76.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.637 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.41 -57.58 11.26 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -51.3 -37.82 49.56 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.82 -54.91 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -54.05 -39.64 66.4 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.2 -49.94 75.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.567 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.428 HD21 ' HB2' ' A' ' 15' ' ' ALA . 59.7 m-80 -66.69 -26.61 67.11 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.982 0.42 . . . . 0.0 112.034 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -41.73 76.65 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.4 -22.27 57.58 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -60.16 -43.75 95.54 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -62.47 -40.1 95.56 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.667 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.03 -41.43 99.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.574 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.13 -40.21 89.0 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 120.938 0.399 . . . . 0.0 111.353 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.374 0.607 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.55 0.53 13.35 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.985 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.97 62.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.89 26.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.152 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.37 -56.51 21.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.349 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.33 -36.32 83.75 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.52 83.97 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.15 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -62.66 -39.31 93.52 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 111.209 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -57.71 -36.15 71.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.685 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.18 -35.09 79.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.186 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 85.0 mt -55.88 -41.24 74.12 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.694 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -61.04 -41.87 97.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.138 0.494 . . . . 0.0 110.481 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.59 -25.8 66.79 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -112.14 1.29 16.19 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.936 0.789 . . . . 0.0 110.474 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 71.79 38.53 0.94 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.471 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 90.6 mt -115.52 163.37 15.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.134 0.492 . . . . 0.0 111.876 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.67 162.83 37.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.916 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -146.09 138.45 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.4 pt -128.14 132.03 68.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 110.706 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -103.6 143.45 32.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 8.8 m-20 -80.84 168.71 18.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.346 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 CA--C 1.513 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.705 -177.585 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.604 0.24 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -144.65 133.52 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.491 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 43.5 ttm180 -125.3 140.17 53.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.748 0.308 . . . . 0.0 110.988 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.99 115.74 30.75 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -116.02 125.29 52.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.398 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mm -114.91 129.38 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -132.86 167.12 20.78 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.789 0.328 . . . . 0.0 110.781 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -102.85 147.61 26.68 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.803 0.811 . . . . 0.0 111.759 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -72.52 12.56 0.46 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.493 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 t -131.97 19.41 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.841 0.829 . . . . 0.0 108.891 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.1 -29.93 10.85 Favored Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.174 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.64 172.83 0.63 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.402 0.62 . . . . 0.0 112.459 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -127.03 144.69 50.96 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.45 -61.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.335 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -164.95 167.13 18.85 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -152.48 147.64 26.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -150.43 142.94 24.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -121.75 131.42 54.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.051 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -126.65 137.81 53.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.355 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -146.25 126.8 14.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -172.25 134.51 0.71 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -87.95 77.37 8.48 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.849 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 13.2 t70 -147.17 112.24 5.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.54 172.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -59.61 -44.9 93.26 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.16 -55.71 9.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.09 0.472 . . . . 0.0 112.114 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.62 -39.47 83.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.319 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.613 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -55.77 -56.51 19.71 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.87 -38.27 90.18 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -60.41 -47.36 86.44 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.912 0.386 . . . . 0.0 110.705 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.89 -42.06 92.98 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.724 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.2 m -66.42 -44.8 81.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 t -73.58 -29.4 62.38 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.679 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.65 -52.12 65.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.467 ' O ' ' HD2' ' A' ' 76' ' ' HIS . 68.6 t90 -57.18 -31.45 65.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.23 -38.07 87.79 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.189 0.518 . . . . 0.0 111.356 -176.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -64.17 -37.46 87.56 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.467 ' HD2' ' O ' ' A' ' 73' ' ' TRP . 0.0 OUTLIER -61.81 -31.74 71.99 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -173.386 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ptp -76.71 -22.24 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -59.87 -58.12 9.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.95 -45.25 82.46 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -49.62 -39.36 35.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.72 -46.38 85.68 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.252 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -39.37 79.65 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.673 0.273 . . . . 0.0 111.211 175.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.926 -177.581 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.7 mt -66.23 -25.81 67.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.877 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.84 73.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.763 0.315 . . . . 0.0 110.647 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -40.52 71.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.042 0.449 . . . . 0.0 110.81 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.89 -47.99 83.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.503 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 57.3 mtmt -60.55 -36.78 79.3 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.22 62.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.07 68.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.725 0.298 . . . . 0.0 111.768 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -59.36 -45.65 90.82 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.04 -176.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.94 -34.5 78.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.038 0.447 . . . . 0.0 111.063 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -71.84 -38.09 70.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.48 -43.47 98.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.252 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.05 -42.0 97.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.416 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.66 -11.82 19.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -112.2 -0.64 15.46 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.663 1.119 . . . . 0.0 109.499 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 68.01 57.18 0.51 Allowed 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.694 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -136.68 167.53 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.087 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.1 152.5 35.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.897 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.48 131.19 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.785 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -133.42 131.45 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 112.065 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -124.24 158.78 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.361 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -143.28 145.58 32.86 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.47 0.539 0 O-C-N 123.622 0.576 . . . . 0.0 110.786 176.785 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 p . . . . . 0 C--O 1.217 -0.635 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -137.34 117.73 16.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.298 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.552 ' HG2' HG23 ' A' ' 57' ' ' THR . 70.2 mtp180 -108.97 132.01 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.33 116.33 27.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -115.45 132.02 56.75 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 111.627 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.8 mm -118.89 131.46 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 116.328 -0.397 . . . . 0.0 109.961 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' A' ' 52' ' ' LEU . 43.2 mt-10 -148.9 170.39 18.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.589 0.233 . . . . 0.0 110.406 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 36.3 t70 -75.4 -170.49 1.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.583 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 1.8 mpp_? -98.56 -37.38 9.57 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -86.51 -72.84 0.48 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.66 72.61 0.15 Allowed Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.651 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.69 114.69 4.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.805 0.336 . . . . 0.0 110.287 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.663 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.3 pt? -72.73 140.09 47.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.991 0.424 . . . . 0.0 110.996 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.87 -61.95 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -164.12 165.23 22.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.55 0.214 . . . . 0.0 110.677 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.1 p -140.06 129.42 23.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.077 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.4 t -139.41 137.9 36.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 0.0 111.562 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.552 HG23 ' HG2' ' A' ' 42' ' ' ARG . 99.4 m -120.45 124.23 44.93 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.938 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -109.01 116.64 32.39 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 23.0 p90 -159.45 122.42 3.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 71.7 t60 -179.56 -70.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 120.546 -0.462 . . . . 0.0 112.078 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.28 163.81 17.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.436 -174.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 63' ' ' GLU . 33.5 t70 -42.74 172.94 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.789 1.236 . . . . 0.0 113.629 -177.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.412 ' H ' ' CG ' ' A' ' 62' ' ' ASP . 14.5 pt-20 -61.77 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.839 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.43 -55.59 31.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.262 0.553 . . . . 0.0 110.56 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.68 -41.61 80.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.708 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -57.18 14.02 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.595 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -64.49 -34.37 78.06 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.67 -45.04 90.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.253 0.549 . . . . 0.0 109.669 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.0 mtm -62.93 -40.26 97.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.951 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.84 -47.35 75.26 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -62.56 -40.27 96.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.92 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.09 -25.66 66.33 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.505 0.669 . . . . 0.0 110.825 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.432 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 70.7 t90 -73.29 -44.03 59.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.31 -171.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.64 -45.9 67.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.828 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -60.72 -29.23 69.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.432 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 2.7 t60 -57.26 -43.17 82.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.831 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.7 ptp -79.06 -21.3 47.0 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -57.65 -48.01 80.67 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.58 -44.51 96.89 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -173.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.81 -35.91 69.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.219 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.52 -5.86 59.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.271 0.558 . . . . 0.0 111.018 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -85.32 -13.62 49.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.417 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.267 177.562 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 N--CA 1.469 0.485 0 CA-C-O 121.357 0.598 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.76 -2.53 11.37 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -51.4 70.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.33 -34.36 25.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.09 0.472 . . . . 0.0 110.55 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -57.38 -48.42 79.1 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.084 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -62.84 -33.41 75.19 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.89 79.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.96 79.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.704 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 m -58.45 -40.88 83.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.867 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -62.82 -31.66 72.71 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -68.68 -36.49 78.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -57.03 -33.27 67.03 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.056 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.55 -33.62 72.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -76.7 -15.04 59.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.06 -3.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.27 56.19 5.32 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 123.449 0.468 . . . . 0.0 111.328 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 pp -147.51 172.54 13.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.402 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.3 151.64 31.15 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -116.86 130.18 72.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.034 0.445 . . . . 0.0 111.885 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.2 pt -108.19 138.1 36.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -107.78 148.59 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.501 . . . . 0.0 111.889 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.3 125.07 31.85 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.337 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--O 1.235 0.314 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.114 179.433 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 120.312 0.101 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -139.88 125.27 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -113.53 134.59 54.61 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.59 0.233 . . . . 0.0 111.573 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.44 110.2 22.34 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -106.35 125.9 51.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.036 0.446 . . . . 0.0 111.539 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.8 mm -106.12 126.56 61.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -139.89 144.98 37.45 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.84 154.28 36.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.354 0.597 . . . . 0.0 111.305 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.79 -30.7 63.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.826 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -92.43 22.66 4.42 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.824 -0.547 . . . . 0.0 111.33 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.87 55.48 9.46 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.863 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -135.94 135.59 39.74 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.7 pt? -73.66 147.89 43.3 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 122.203 -0.311 . . . . 0.0 110.518 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.45 -44.61 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' OD2' ' HZ2' ' A' ' 73' ' ' TRP . 41.0 t0 -176.66 173.51 1.98 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.307 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -148.26 143.7 27.15 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.487 0.315 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.5 m -150.03 143.0 24.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.464 0.173 . . . . 0.0 110.728 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.6 m -128.75 130.27 46.84 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -127.51 121.11 29.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -151.44 111.15 4.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.101 0.953 . . . . 0.0 113.164 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -171.85 153.74 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -88.28 80.65 7.48 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 119.104 -1.039 . . . . 0.0 112.431 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -144.6 104.05 4.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.711 171.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -55.29 -49.47 72.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -177.387 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -37.53 51.51 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.413 -0.915 . . . . 0.0 112.686 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.36 -41.72 91.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.76 -52.76 64.14 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.7 -34.6 78.69 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -57.98 -51.08 71.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.078 0.466 . . . . 0.0 110.605 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.26 -36.64 80.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.05 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.08 -49.38 76.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -72.55 -37.99 68.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.63 -33.09 75.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.141 0.496 . . . . 0.0 111.692 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.409 ' HZ2' ' OD2' ' A' ' 54' ' ' ASP . 78.6 t90 -72.76 -38.18 67.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.685 0.755 . . . . 0.0 110.14 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 77' ' ' MET . 79.4 mt -65.75 -41.68 91.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.593 -177.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 49.2 t30 -61.53 -37.57 84.21 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.296 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -37.05 73.15 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 74' ' ' LEU . 20.8 ptp -76.53 -21.95 55.05 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.562 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 28.9 m-85 -59.09 -51.43 70.08 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.81 -46.8 89.1 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.51 -39.81 85.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.25 2.78 42.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.114 0.483 . . . . 0.0 112.109 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 61.4 mttm -86.04 -14.13 45.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.068 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 121.089 0.471 . . . . 0.0 110.468 177.206 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.833 0.349 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.39 6.38 37.67 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -53.25 57.71 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.42 -27.87 29.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.368 0.604 . . . . 0.0 110.618 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -58.24 -46.49 85.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.583 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -62.35 -33.82 75.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.23 -26.94 53.14 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -24.29 67.69 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 m -59.03 -42.56 90.48 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.51 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.49 -36.47 82.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.135 0.493 . . . . 0.0 111.007 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.36 -35.78 74.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.378 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.53 HD23 ' OH ' ' A' ' 78' ' ' TYR . 91.3 mt -58.75 -42.68 89.43 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.951 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.86 -31.07 72.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.434 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.88 -44.34 74.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.1 tp -107.7 12.12 27.78 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 65.52 58.42 0.83 Allowed 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.222 0.534 . . . . 0.0 112.277 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 4.3 pp -145.51 171.23 14.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.86 -179.46 6.71 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.495 0.183 . . . . 0.0 111.495 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 p -147.44 139.35 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.634 0.373 . . . . 0.0 110.302 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -129.78 141.1 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -125.28 152.9 44.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' OD2' ' HD2' ' A' ' 42' ' ' ARG . 35.0 m-20 -114.98 136.46 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.924 -177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.025 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 120.406 0.146 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.5 mt -133.69 128.57 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-O 120.667 0.27 . . . . 0.0 111.319 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HD2' ' OD2' ' A' ' 29' ' ' ASP . 31.7 ttm180 -124.99 136.22 53.52 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.836 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.81 121.49 43.76 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.718 0.407 . . . . 0.0 110.448 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -116.55 119.97 37.26 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.95 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.5 mm -108.77 130.09 62.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.5 160.05 43.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.99 163.45 17.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -80.44 12.58 2.93 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 123.267 0.627 . . . . 0.0 112.455 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -116.86 15.57 15.26 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.988 0.423 . . . . 0.0 109.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.18 3.85 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.621 -0.799 . . . . 0.0 111.504 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -153.56 115.91 4.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.6 pt? -71.74 140.34 49.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.633 0.254 . . . . 0.0 110.555 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.1 mm -101.58 -51.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.739 0.305 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -164.85 166.55 19.56 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -148.54 147.12 28.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.661 0.385 . . . . 0.0 110.542 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.6 t -147.91 139.87 24.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.2 m -128.74 138.43 52.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -122.21 138.95 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.627 0.251 . . . . 0.0 111.246 -177.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 88.5 m-85 -132.72 125.76 30.96 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 6.6 t-80 170.4 121.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -77.75 78.46 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.191 -1.404 . . . . 0.0 110.303 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.656 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 1.1 m-20 -144.66 123.0 12.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.938 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.22 -58.62 4.99 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 120.844 0.354 . . . . 0.0 111.644 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.99 -43.99 77.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.063 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 87.3 t -62.42 -44.31 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.538 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.656 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -60.62 -53.18 60.64 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -59.92 -43.59 94.81 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -56.76 -43.14 80.5 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.583 0.23 . . . . 0.0 111.474 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.8 mtm -68.56 -41.08 80.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.236 0.541 . . . . 0.0 111.24 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.09 -38.18 82.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -173.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -74.56 -32.07 62.3 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -172.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -60.81 -53.3 58.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.542 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 81.2 t90 -55.61 -30.62 61.23 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.52 -44.75 95.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.735 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -75.39 -21.62 58.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.553 0.692 . . . . 0.0 110.639 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.542 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 5.8 t60 -56.64 -43.17 80.01 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.921 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.446 ' HB3' ' HE2' ' A' ' 77' ' ' MET . 17.8 ptp -67.15 -32.9 74.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.608 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 74.3 m-85 -59.07 -43.84 91.79 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.89 -30.5 70.91 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.95 -39.47 26.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.2 mt -78.5 -19.03 53.89 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.8 mttt -62.71 -35.26 79.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.537 0.208 . . . . 0.0 111.543 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 111.612 -178.869 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.689 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 97.3 mt -61.9 10.57 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.06 -52.45 58.49 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.448 0.567 . . . . 0.0 112.482 -175.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.77 83.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.386 0.612 . . . . 0.0 110.808 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.17 -43.53 78.45 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.689 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 65.3 mttm -55.49 -35.06 65.15 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -29.17 65.21 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.49 -23.51 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.9 m -57.05 -47.29 81.32 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -66.99 -34.96 78.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.035 0.445 . . . . 0.0 111.63 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -70.93 -35.51 72.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -54.66 -37.07 65.27 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.225 0.61 . . . . 0.0 112.22 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -60.88 -34.38 74.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 111.09 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -76.8 -9.42 58.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -110.4 -6.56 14.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.508 0.67 . . . . 0.0 110.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 62.89 48.32 4.05 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.926 172.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.17 171.26 15.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.5 -179.04 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.055 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -149.73 143.07 17.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.386 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.87 136.72 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.032 0.444 . . . . 0.0 111.044 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -116.11 152.48 33.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -126.51 127.46 45.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.338 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.941 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 120.705 0.288 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.92 125.86 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.825 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.51 ' HG2' HG23 ' A' ' 57' ' ' THR . 60.9 mtp180 -107.14 128.92 54.83 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.918 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 tp -109.98 111.06 22.22 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.512 ' HE ' ' CD ' ' A' ' 46' ' ' GLU . 25.9 ttt180 -110.95 128.55 55.87 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.4 mm -108.83 127.86 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' CD ' ' HE ' ' A' ' 44' ' ' ARG . 56.5 mt-10 -149.36 167.4 26.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.086 0.47 . . . . 0.0 111.769 178.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' ASN . 28.1 t70 -90.78 169.09 11.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.249 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.591 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -96.03 9.45 40.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.2 t -132.66 36.3 3.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.818 -0.551 . . . . 0.0 111.498 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 57.94 4.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.607 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 47.1 t30 -151.9 105.74 3.14 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 3.7 pp -75.25 146.05 41.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.77 -51.99 7.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -176.87 176.82 1.4 Allowed 'General case' 0 C--O 1.238 0.455 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -145.14 143.72 30.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.4 t -149.43 143.79 25.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.816 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.51 HG23 ' HG2' ' A' ' 42' ' ' ARG . 85.1 m -128.39 132.31 48.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.58 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.38 114.61 22.08 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.738 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.25 0.547 . . . . 0.0 111.245 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.5 t60 176.53 122.44 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -81.05 80.26 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.627 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 11.8 t70 -143.69 104.36 4.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.358 171.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.84 -50.45 64.53 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.68 -39.75 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -51.9 -56.48 13.82 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.165 -173.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.55 -29.47 68.04 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.01 -44.1 97.91 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.8 mtm -66.68 -36.63 82.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.1 m -63.8 -44.86 92.06 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 t -76.04 -33.2 59.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 110.938 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.93 -28.71 69.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 62.8 t90 -75.22 -37.81 60.95 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.828 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.32 -46.43 76.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.544 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.57 -31.63 72.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 38.5 t60 -55.64 -44.36 77.1 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.015 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 ptp -78.44 -22.66 47.32 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.604 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 52.4 m-85 -58.05 -46.02 86.07 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.26 -50.56 73.15 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -64.55 -39.97 94.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.587 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.1 mt -81.64 -1.83 48.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -175.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 97.0 mttt -81.02 -20.53 41.54 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.683 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 178.756 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 121.792 0.806 . . . . 0.0 108.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -117.95 -9.4 10.61 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.404 -1.271 . . . . 0.0 113.306 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.23 64.88 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.15 -39.55 60.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.163 0.506 . . . . 0.0 111.246 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.37 -51.56 69.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.81 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' A' ' 16' ' ' THR . 75.2 mmtt -66.79 -34.69 78.37 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -29.3 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 13' ' ' LYS . 96.6 m -61.31 -44.65 96.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.806 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.09 -27.63 68.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.099 0.476 . . . . 0.0 111.287 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 14.7 mptt -68.94 -34.41 75.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.656 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.38 -37.89 68.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.272 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.11 -41.72 97.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.13 -8.67 56.8 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.436 0.636 . . . . 0.0 111.007 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 81' ' ' LEU . 28.1 tp -110.04 -5.53 15.39 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.456 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 60.23 46.2 10.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.086 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -150.04 178.16 9.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.562 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.04 145.63 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.595 0.236 . . . . 0.0 110.583 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -95.64 119.6 43.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 pt -97.2 129.49 47.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.828 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -117.81 157.17 27.07 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.159 0.504 . . . . 0.0 111.318 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 33.4 t70 -82.02 154.68 25.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.864 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 . . . . . 0 C--N 1.312 -1.059 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.012 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 120.707 0.289 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -127.95 111.76 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.694 0.283 . . . . 0.0 110.4 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 73.8 mtt85 -112.09 135.27 52.96 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.79 111.29 22.36 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.375 0.27 . . . . 0.0 111.516 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -107.35 122.73 47.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.7 0.286 . . . . 0.0 111.103 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.45 127.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.717 0.294 . . . . 0.0 111.127 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HA ' HG12 ' A' ' 53' ' ' ILE . 10.4 pt-20 -152.28 158.51 42.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.47 158.38 35.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.529 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.49 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -74.77 9.36 1.88 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -112.65 6.96 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.44 -18.9 56.07 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 113.432 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -62.56 120.52 11.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.852 0.326 . . . . 0.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.6 pp -69.99 146.69 50.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.312 0.577 . . . . 0.0 112.307 -177.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 46' ' ' GLU . 46.7 mm -110.98 -51.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.843 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -173.17 175.46 3.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.094 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -149.67 140.0 22.31 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -142.06 141.67 32.79 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 111.69 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.9 m -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -107.61 114.63 28.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.46 127.99 15.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 172.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.494 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 5.3 t-80 -174.82 -155.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.96 -176.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.494 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 71.8 m-70 -61.7 163.78 6.88 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.015 0.926 . . . . 0.0 110.407 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' VAL . 16.4 t70 -43.16 159.56 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -35.63 -32.58 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.612 1.965 . . . . 0.0 115.862 -175.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -55.97 -43.21 77.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 118.369 0.531 . . . . 0.0 111.352 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 62' ' ' ASP . 8.7 p -73.94 -32.42 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.3 mm? -60.93 -51.89 67.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -172.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.48 -36.1 82.63 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.02 -43.44 98.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 76.1 mtm -67.94 -38.04 82.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.042 0.449 . . . . 0.0 111.057 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.8 m -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.82 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -73.1 -41.54 63.93 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.662 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.92 -31.2 71.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 111.529 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -75.6 -42.64 51.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.015 0.912 . . . . 0.0 109.124 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.53 -41.41 84.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.628 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -62.99 -36.05 82.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.06 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.72 -42.52 75.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.667 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.8 ptp -77.05 -21.94 53.71 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 18' ' ' LYS . 44.1 m-85 -59.81 -47.17 86.79 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -40.29 76.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.75 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.69 -39.71 85.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.435 HD12 HD21 ' A' ' 22' ' ' LEU . 96.7 mt -78.91 -7.69 58.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 111.103 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -87.9 -15.38 36.83 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.716 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.066 -179.071 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m120 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 121.368 0.604 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.42 3.93 0.61 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.9 67.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.6 -26.75 32.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.493 0.663 . . . . 0.0 110.334 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.089 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.43 -39.46 83.6 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.43 96.59 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.04 61.87 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -52.41 -44.32 65.32 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.32 -25.08 67.45 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.0 -35.86 79.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.715 0.293 . . . . 0.0 111.352 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.3 -34.3 70.41 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.511 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.77 -30.75 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -77.62 -9.3 58.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.112 0.482 . . . . 0.0 110.706 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD23 HD21 ' A' ' 24' ' ' LEU . 33.0 tp -115.44 -5.9 12.28 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.776 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 58.36 57.45 3.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.672 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD21 HD23 ' A' ' 22' ' ' LEU . 1.6 pp -147.71 176.69 9.9 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.33 177.57 6.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.139 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' CG2' HD11 ' A' ' 43' ' ' LEU . 3.7 p -151.13 124.95 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.579 0.228 . . . . 0.0 111.086 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.62 147.56 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 121.082 0.468 . . . . 0.0 112.21 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -121.39 163.39 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.544 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 77.1 m-20 -104.15 120.28 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.35 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.704 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 120.504 0.192 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.6 mm -125.26 111.37 27.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 35.3 mtp-105 -109.45 126.43 53.48 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD11 ' CG2' ' A' ' 26' ' ' VAL . 28.9 tp -104.88 111.63 24.45 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.019 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 ttm105 -108.77 125.08 51.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.083 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.68 126.43 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.42 -178.4 5.6 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 51' ' ' ASN . 28.5 t70 -124.0 150.38 44.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.227 0.537 . . . . 0.0 112.165 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.705 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -94.38 11.56 30.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.792 -178.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 23.0 t -118.04 20.38 13.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.82 2.95 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.126 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 65.2 m-80 -147.95 154.8 40.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.71 127.24 56.07 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.4 mm -102.43 -62.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -174.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -166.22 167.89 15.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.705 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 m -151.86 142.3 22.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.231 0.612 . . . . 0.0 109.686 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 m -151.73 150.94 30.77 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.57 0.224 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -120.37 124.02 44.51 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.23 119.57 38.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -154.33 129.64 9.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.607 -1.256 . . . . 0.0 107.607 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.506 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.9 t-80 -171.41 -166.95 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.396 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.506 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -61.11 167.33 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 124.381 1.072 . . . . 0.0 109.997 174.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.558 ' O ' HG12 ' A' ' 65' ' ' VAL . 24.5 t70 -36.66 142.37 0.1 Allowed 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -39.4 -24.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.853 2.061 . . . . 0.0 114.972 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.4 -50.55 67.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 62' ' ' ASP . 14.8 p -75.3 -33.62 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-O 121.161 0.505 . . . . 0.0 111.753 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.8 -56.57 16.26 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -172.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.76 -25.39 62.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.94 -42.02 93.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.761 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.02 -35.78 78.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.265 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.26 -41.78 98.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.9 t -67.5 -37.77 83.33 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.273 0.559 . . . . 0.0 110.665 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.22 -27.57 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 83.2 t90 -73.94 -44.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.623 -175.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.04 -47.98 78.06 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.36 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 40.5 m-80 -61.27 -32.72 72.54 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.978 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 3.3 t60 -55.42 -41.0 72.17 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.6 ptp -77.05 -21.35 54.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.579 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 39.5 m-85 -55.87 -50.99 69.11 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.48 -41.28 98.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.02 0.438 . . . . 0.0 111.472 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.74 -30.63 67.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.491 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.1 mt -92.92 -2.7 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.7 mttt -85.5 -49.15 8.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.832 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.3 m120 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 121.052 0.453 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.74 10.27 6.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.53 70.36 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.27 -28.87 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.56 -46.95 85.81 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.384 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -59.98 -35.08 74.24 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.118 0.567 . . . . 0.0 112.478 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.87 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.844 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.02 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 m -67.07 -42.92 83.87 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.711 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.25 -30.46 69.45 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.367 0.604 . . . . 0.0 110.985 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -62.71 -33.62 75.48 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.512 HD23 ' OH ' ' A' ' 78' ' ' TYR . 91.8 mt -53.1 -48.56 67.71 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.23 0.331 . . . . 0.0 111.631 -173.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.53 -30.51 70.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 111.272 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.2 -32.84 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.633 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.6 tp -111.12 5.75 20.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.972 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 71.37 42.15 0.71 Allowed 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.137 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.93 166.7 22.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.962 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.08 151.36 28.25 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.399 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.91 138.32 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -116.24 140.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 120.928 0.394 . . . . 0.0 110.271 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -119.82 156.33 30.87 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.066 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.55 136.22 30.91 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 123.368 0.417 . . . . 0.0 109.996 -178.015 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 p . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.67 135.01 29.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.898 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.17 136.07 53.92 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.657 0.265 . . . . 0.0 111.238 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -108.2 124.6 50.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.288 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -121.93 123.58 42.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.283 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.8 mm -97.43 132.33 42.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -132.83 145.47 51.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.58 162.11 19.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -85.61 6.44 27.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -117.42 20.32 13.64 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.07 -33.77 4.55 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.554 -0.748 . . . . 0.0 113.204 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 153.52 2.5 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.37 0.605 . . . . 0.0 112.451 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 52' ' ' LEU . 1.3 pt? -107.73 137.14 46.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.86 -61.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -164.87 169.54 16.46 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.382 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -145.05 141.31 28.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.379 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 136.35 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 110.707 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.2 m -120.22 128.79 53.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.673 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.84 131.42 55.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -141.88 110.72 6.2 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.557 0.694 . . . . 0.0 112.081 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -160.98 141.74 11.45 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -94.31 76.77 3.94 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 117.795 -1.562 . . . . 0.0 111.877 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.438 ' HB3' ' HB ' ' A' ' 65' ' ' VAL . 18.0 t70 -146.52 117.92 7.93 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.211 171.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -57.75 -49.39 76.73 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.97 -48.72 62.46 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 72.0 t -60.38 -42.84 92.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.151 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.487 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 0.4 OUTLIER -56.52 -56.83 16.31 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.716 0.293 . . . . 0.0 110.744 -174.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -58.39 -45.18 88.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.58 -44.94 95.05 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.813 0.34 . . . . 0.0 111.606 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.487 ' HE2' ' HA ' ' A' ' 66' ' ' LEU . 73.2 mtm -55.33 -42.35 73.65 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.157 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.65 -40.4 92.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 t -76.49 -34.76 58.64 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.34 -51.41 67.73 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.459 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 93.0 t90 -57.36 -35.85 70.46 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.95 -43.66 95.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 111.282 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.67 -35.99 82.82 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.814 0.816 . . . . 0.0 109.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 7.6 t60 -56.29 -30.85 63.04 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.204 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtp -64.05 -40.06 95.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.397 0.618 . . . . 0.0 110.454 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.512 ' OH ' HD23 ' A' ' 19' ' ' LEU . 95.2 m-85 -64.05 -38.12 89.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.67 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.19 -22.88 67.16 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.544 -176.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -95.18 -41.7 8.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.111 0.481 . . . . 0.0 110.664 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.55 -33.04 74.24 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.428 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.41 -36.87 85.25 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.905 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.549 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.246 0.546 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.33 175.54 38.78 Favored Glycine 0 N--CA 1.438 -1.228 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.382 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -130.07 130.46 44.92 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.704 0.287 . . . . 0.0 110.357 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.82 162.91 16.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.983 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -128.52 121.81 29.69 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.384 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -160.38 167.81 26.56 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.644 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.66 -43.03 99.81 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.569 -0.348 . . . . 0.0 113.858 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -69.16 -13.81 62.63 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 117.319 0.56 . . . . 0.0 111.131 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 77.4 mt -90.71 -0.8 57.82 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.145 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.89 72.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 111.222 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.008 0.432 . . . . 0.0 110.936 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.5 -49.01 78.9 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.89 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 35.1 mmtp -52.82 -37.03 59.42 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.82 -35.6 76.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.04 74.01 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -50.21 -39.58 44.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -58.7 -31.67 68.46 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.905 0.384 . . . . 0.0 111.519 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.32 -35.98 76.49 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.096 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.26 -45.55 83.88 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.235 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.26 -42.0 96.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.324 . . . . 0.0 111.265 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.94 -10.41 58.48 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 81' ' ' LEU . 41.5 tp -108.88 -1.8 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.1 t70 63.53 57.38 1.47 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.825 176.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.68 175.12 9.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.988 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.16 149.66 48.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.614 0.245 . . . . 0.0 110.413 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -146.22 137.33 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.621 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -135.32 137.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.029 0.442 . . . . 0.0 110.631 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.96 151.79 30.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.28 122.15 37.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.334 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 31' ' ' TRP . 2.0 t70 -154.29 135.08 13.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.836 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.416 ' HB3' ' O ' ' A' ' 30' ' ' ASP . 75.2 t-105 95.84 -3.6 0.07 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.668 1.187 . . . . 0.0 110.572 175.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -117.38 130.34 56.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.852 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -151.81 166.62 30.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.363 -0.38 . . . . 0.0 109.992 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.51 -116.18 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 O-C-N 123.186 0.303 . . . . 0.0 111.641 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -95.57 -17.36 21.45 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.2 p -74.14 -32.38 63.13 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -174.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 56.21 61.51 2.7 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.035 0.445 . . . . 0.0 111.389 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.529 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 1.5 tpmt? -125.88 138.96 53.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -67.26 139.92 57.35 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.3 p -164.86 159.37 18.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.694 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.0 mm -120.88 106.8 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -107.29 126.47 52.47 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.584 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -115.36 125.55 53.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -126.77 136.29 52.2 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.906 0.384 . . . . 0.0 111.851 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.0 mm -116.38 137.96 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.95 172.0 19.24 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.59 0.632 . . . . 0.0 110.78 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.603 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 35.0 t70 -86.54 -159.87 0.52 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.741 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.603 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -100.94 -35.25 9.46 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 23.3 t -85.84 -55.53 3.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.182 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.18 -31.1 0.04 OUTLIER Glycine 0 C--N 1.332 0.331 0 C-N-CA 119.275 -1.44 . . . . 0.0 114.52 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.4 111.55 0.81 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 117.293 0.547 . . . . 0.0 111.829 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.1 pt? -79.45 141.21 36.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.385 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.2 mm -97.8 -61.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.617 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -170.55 172.3 6.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.55 0.214 . . . . 0.0 110.63 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -153.75 153.39 32.12 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 t -150.64 143.13 24.39 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.7 m -117.75 129.15 55.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -113.77 128.81 56.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -150.51 126.5 10.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.605 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.4 t-80 -173.63 -156.62 0.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -172.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.65 ' HB3' HG11 ' A' ' 65' ' ' VAL . 8.3 t-80 -61.55 166.35 4.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.605 0.762 . . . . 0.0 109.457 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 65' ' ' VAL . 32.0 m-20 -40.69 179.61 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -38.13 74.62 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 113.777 -1.556 . . . . 0.0 114.133 -168.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.47 -54.53 45.77 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.804 0.335 . . . . 0.0 111.523 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.65 HG11 ' HB3' ' A' ' 61' ' ' HIS . 9.9 p -67.37 -35.1 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -57.87 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.851 0.358 . . . . 0.0 110.307 -177.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.19 -36.73 73.53 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.78 -46.98 86.27 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.913 0.387 . . . . 0.0 110.17 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 74.5 mtm -60.41 -44.22 95.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.427 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.8 m -62.97 -50.78 69.43 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.0 t -65.31 -31.82 73.16 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 120.745 0.307 . . . . 0.0 111.249 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.92 -52.87 62.31 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.058 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.539 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 60.3 t90 -63.02 -36.69 84.39 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.955 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.6 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 27.1 t-20 -67.24 -30.52 70.45 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.315 0.579 . . . . 0.0 110.373 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.539 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 4.1 t60 -55.7 -43.72 76.71 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.135 -0.939 . . . . 0.0 113.025 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.7 ptp -76.98 -21.57 54.51 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.6 ' CD2' ' HA ' ' A' ' 75' ' ' ASN . 13.4 m-85 -53.26 -56.36 17.19 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.28 -43.4 98.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.181 0.515 . . . . 0.0 111.544 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.9 -42.16 75.6 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.953 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.424 ' HB2' HD21 ' A' ' 22' ' ' LEU . 96.4 mt -84.98 -8.67 58.64 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.359 0.6 . . . . 0.0 110.87 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 65.6 mttm -83.84 -15.79 46.93 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.242 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -89.03 -36.86 15.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.206 0.527 . . . . 0.0 110.671 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -88.29 125.39 34.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.3 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.268 2.057 0 C-N-CA 124.989 1.316 . . . . 0.0 113.374 179.606 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.982 0.42 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.6 56.98 0.6 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -65.19 -36.16 83.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 0.0 111.309 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.7 mt -108.79 142.42 39.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.797 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -124.42 -24.46 4.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.749 0.309 . . . . 0.0 111.561 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 t -159.89 173.55 15.77 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.75 -24.45 23.82 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.466 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -143.63 -9.37 0.73 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.852 0.358 . . . . 0.0 110.663 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 mt -101.49 8.93 41.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.3 70.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.808 0.337 . . . . 0.0 111.233 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.37 -27.09 32.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 0.0 110.944 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -61.34 -44.38 97.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.77 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -60.71 -37.79 82.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.857 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -36.19 79.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.03 0.443 . . . . 0.0 110.525 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB2' HD21 ' A' ' 75' ' ' ASN . . . -78.37 -24.71 46.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.225 177.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.536 ' HA ' HD13 ' A' ' 19' ' ' LEU . 96.4 m -58.93 -42.3 89.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.961 0.504 . . . . 0.0 112.344 -177.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.56 -39.95 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.119 0.485 . . . . 0.0 110.888 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -53.89 -37.38 63.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.464 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 16' ' ' THR . 8.3 mp -61.02 -43.57 98.69 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.05 0.453 . . . . 0.0 110.455 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -62.51 -42.16 99.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.386 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -57.4 -50.3 73.45 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.12 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.42 4.34 35.93 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.94 57.47 2.57 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.337 0.589 . . . . 0.0 111.222 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 pp -141.61 176.63 8.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.639 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 19' ' ' LEU . . . -154.78 160.98 41.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.506 0.193 . . . . 0.0 110.776 -176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.41 147.84 31.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -130.63 138.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -116.74 127.83 54.74 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.427 0.632 . . . . 0.0 111.498 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.26 148.74 31.29 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.052 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.48 118.84 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -164.0 137.51 5.4 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -101.25 81.41 2.21 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -113.18 -28.88 7.48 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.446 -176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -65.07 100.34 0.43 Allowed 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 121.415 0.626 . . . . 0.0 112.209 -176.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -52.44 -48.01 66.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.173 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -91.27 0.26 57.55 Favored 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 99.7 mtt180 -132.81 176.81 8.14 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.517 -0.739 . . . . 0.0 111.944 -176.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -149.88 126.73 11.1 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.495 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -144.19 -176.5 5.04 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.3 t -144.43 -85.73 0.13 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.75 120.13 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 120.706 0.289 . . . . 0.0 110.858 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -120.59 116.91 26.27 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.28 128.57 44.25 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -127.68 121.97 31.77 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.748 0.309 . . . . 0.0 111.595 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.3 mm -108.39 130.66 60.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -151.52 145.92 25.52 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.77 170.7 10.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.391 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.1 12.3 1.2 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.206 0.527 . . . . 0.0 111.356 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -132.83 162.02 32.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.784 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.17 56.37 1.1 Allowed Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.05 -16.31 13.09 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.24 99.49 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 123.735 0.814 . . . . 0.0 112.815 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.29 -65.65 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.3 164.98 13.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.561 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.8 p -143.48 141.99 31.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.375 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.7 m -144.64 130.67 19.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.591 0.234 . . . . 0.0 111.037 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.9 m -112.01 129.22 56.27 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -127.25 125.78 41.54 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -160.44 119.55 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.144 172.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.435 ' CD2' ' H ' ' A' ' 61' ' ' HIS . 11.5 t60 -167.99 -133.88 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.301 -175.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.435 ' H ' ' CD2' ' A' ' 60' ' ' HIS . 1.4 t-80 -62.65 167.08 4.73 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.309 1.044 . . . . 0.0 110.977 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -39.78 170.17 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.679 1.192 . . . . 0.0 112.636 -175.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.96 -23.23 61.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.744 -165.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.4 -50.99 70.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.212 0.53 . . . . 0.0 109.6 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.71 -43.27 80.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.292 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -46.46 90.6 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.06 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -71.78 -43.11 66.29 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.515 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -57.8 -41.96 83.22 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.62 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.3 mtm -66.16 -46.8 76.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.637 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.2 m -55.41 -57.58 11.26 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -51.3 -37.82 49.56 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.82 -54.91 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -54.05 -39.64 66.4 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.2 -49.94 75.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.567 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.428 HD21 ' HB2' ' A' ' 15' ' ' ALA . 59.7 m-80 -66.69 -26.61 67.11 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.982 0.42 . . . . 0.0 112.034 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -41.73 76.65 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.5 ptp -75.4 -22.27 57.58 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -60.16 -43.75 95.54 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -62.47 -40.1 95.56 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.667 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.37 -42.04 93.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.03 -41.43 99.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.574 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.13 -40.21 89.0 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -92.1 15.41 13.49 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.938 0.399 . . . . 0.0 111.353 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -109.76 110.16 21.08 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.623 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 C--O 1.269 2.114 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.677 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.747 0.308 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.1 -158.88 27.85 Favored Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -73.99 109.42 7.47 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -94.27 117.07 29.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.917 0.389 . . . . 0.0 110.348 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -66.46 -47.28 73.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.089 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -161.19 166.61 27.54 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.51 -9.33 86.08 Favored Glycine 0 N--CA 1.468 0.785 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.896 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -108.28 -13.5 14.88 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.374 0.607 . . . . 0.0 110.204 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.55 0.53 13.35 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.985 -177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.12 -52.97 62.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.89 26.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.152 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.37 -56.51 21.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.349 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.33 -36.32 83.75 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.52 83.97 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.15 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -62.66 -39.31 93.52 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 111.209 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -57.71 -36.15 71.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.685 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.18 -35.09 79.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.186 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 85.0 mt -55.88 -41.24 74.12 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.694 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -61.04 -41.87 97.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.138 0.494 . . . . 0.0 110.481 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.59 -25.8 66.79 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -112.14 1.29 16.19 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.936 0.789 . . . . 0.0 110.474 -177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 71.79 38.53 0.94 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.471 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 90.6 mt -115.52 163.37 15.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.134 0.492 . . . . 0.0 111.876 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.67 162.83 37.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.916 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -146.09 138.45 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.4 pt -128.14 132.03 68.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 110.706 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -103.6 143.45 32.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' ' 42' ' ' ARG . 8.8 m-20 -80.84 168.71 18.46 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.346 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -126.98 151.42 48.57 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.705 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.423 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 87.2 m95 -143.41 94.15 2.57 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.695 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -97.14 -14.0 21.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.858 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.17 141.33 40.17 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.123 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.6 78.95 0.27 Allowed 'General case' 0 CA--C 1.52 -0.189 0 O-C-N 123.89 0.744 . . . . 0.0 109.668 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -95.07 -1.76 51.49 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.101 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 p -67.6 34.68 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -172.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 37' ' ' ARG . 55.4 mtt85 95.0 35.41 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 124.627 1.171 . . . . 0.0 112.372 174.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -156.33 106.53 2.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.836 0.351 . . . . 0.0 110.757 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -108.12 161.9 14.55 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.821 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 31' ' ' TRP . 64.4 m -137.15 158.4 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.035 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -144.65 133.52 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.491 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 43.5 ttm180 -125.3 140.17 53.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.748 0.308 . . . . 0.0 110.988 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.99 115.74 30.75 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -116.02 125.29 52.26 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.398 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mm -114.91 129.38 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -132.86 167.12 20.78 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.789 0.328 . . . . 0.0 110.781 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -102.85 147.61 26.68 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.803 0.811 . . . . 0.0 111.759 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -72.52 12.56 0.46 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.493 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 t -131.97 19.41 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.841 0.829 . . . . 0.0 108.891 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.1 -29.93 10.85 Favored Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.221 -0.9 . . . . 0.0 113.174 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.64 172.83 0.63 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.402 0.62 . . . . 0.0 112.459 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -127.03 144.69 50.96 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.4 mm -100.45 -61.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.335 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -164.95 167.13 18.85 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 t -152.48 147.64 26.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -150.43 142.94 24.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -121.75 131.42 54.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.051 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -126.65 137.81 53.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.355 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -146.25 126.8 14.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -172.25 134.51 0.71 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -87.95 77.37 8.48 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.849 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 13.2 t70 -147.17 112.24 5.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.54 172.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -59.61 -44.9 93.26 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.16 -55.71 9.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.09 0.472 . . . . 0.0 112.114 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.62 -39.47 83.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.319 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.613 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -55.77 -56.51 19.71 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.87 -38.27 90.18 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -60.41 -47.36 86.44 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.912 0.386 . . . . 0.0 110.705 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.89 -42.06 92.98 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.724 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.2 m -66.42 -44.8 81.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 t -73.58 -29.4 62.38 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.679 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.65 -52.12 65.63 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.467 ' O ' ' HD2' ' A' ' 76' ' ' HIS . 68.6 t90 -57.18 -31.45 65.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.23 -38.07 87.79 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.189 0.518 . . . . 0.0 111.356 -176.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -64.17 -37.46 87.56 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.467 ' HD2' ' O ' ' A' ' 73' ' ' TRP . 0.0 OUTLIER -61.81 -31.74 71.99 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -173.386 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ptp -76.71 -22.24 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -59.87 -58.12 9.91 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.95 -45.25 82.46 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -49.62 -39.36 35.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.72 -46.38 85.68 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.252 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -39.37 79.65 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.673 0.273 . . . . 0.0 111.211 175.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.52 -38.59 91.7 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.926 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -130.72 50.73 2.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.771 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.266 1.957 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.877 177.88 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.949 0.405 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.94 -68.7 1.55 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.228 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.35 146.0 28.34 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -133.13 162.61 31.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.175 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -146.46 -71.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.909 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -78.74 159.64 27.84 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.881 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.17 147.38 45.92 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.309 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -175.47 -44.97 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.944 0.402 . . . . 0.0 111.448 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.7 mt -66.23 -25.81 67.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.877 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.84 73.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.763 0.315 . . . . 0.0 110.647 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -40.52 71.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.042 0.449 . . . . 0.0 110.81 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.89 -47.99 83.52 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.503 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 57.3 mtmt -60.55 -36.78 79.3 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.22 62.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.07 68.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.725 0.298 . . . . 0.0 111.768 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -59.36 -45.65 90.82 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.04 -176.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.94 -34.5 78.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.038 0.447 . . . . 0.0 111.063 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -71.84 -38.09 70.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.48 -43.47 98.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.252 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.05 -42.0 97.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.416 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.66 -11.82 19.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.2 tp -112.2 -0.64 15.46 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.663 1.119 . . . . 0.0 109.499 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 68.01 57.18 0.51 Allowed 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.694 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -136.68 167.53 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.087 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.1 152.5 35.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 111.897 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -137.48 131.19 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.785 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -133.42 131.45 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 112.065 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -124.24 158.78 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.361 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -143.28 145.58 32.86 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -149.82 118.32 6.51 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.622 0.576 . . . . 0.0 110.786 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -130.68 103.31 6.53 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.933 0.397 . . . . 0.0 110.746 175.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -104.03 124.84 49.76 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.29 -39.14 82.19 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.3 167.73 13.94 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 121.626 -0.671 . . . . 0.0 110.28 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -92.76 -11.96 32.53 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 p -98.14 1.81 47.89 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -101.87 160.92 14.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.382 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 tptp -77.84 144.61 36.89 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.65 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -74.0 169.7 16.94 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.463 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 p -142.87 152.67 42.37 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.955 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -137.34 117.73 16.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.298 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.552 ' HG2' HG23 ' A' ' 57' ' ' THR . 70.2 mtp180 -108.97 132.01 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.33 116.33 27.0 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -115.45 132.02 56.75 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.846 0.355 . . . . 0.0 111.627 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.8 mm -118.89 131.46 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 116.328 -0.397 . . . . 0.0 109.961 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' A' ' 52' ' ' LEU . 43.2 mt-10 -148.9 170.39 18.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.589 0.233 . . . . 0.0 110.406 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' A' ' 48' ' ' ARG . 36.3 t70 -75.4 -170.49 1.23 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.583 ' H ' ' CG ' ' A' ' 47' ' ' ASP . 1.8 mpp_? -98.56 -37.38 9.57 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -86.51 -72.84 0.48 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.66 72.61 0.15 Allowed Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.651 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.69 114.69 4.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.805 0.336 . . . . 0.0 110.287 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.663 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.3 pt? -72.73 140.09 47.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.991 0.424 . . . . 0.0 110.996 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.87 -61.95 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -164.12 165.23 22.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.55 0.214 . . . . 0.0 110.677 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.1 p -140.06 129.42 23.98 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.077 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.4 t -139.41 137.9 36.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 0.0 111.562 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.552 HG23 ' HG2' ' A' ' 42' ' ' ARG . 99.4 m -120.45 124.23 44.93 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.938 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -109.01 116.64 32.39 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 23.0 p90 -159.45 122.42 3.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 71.7 t60 -179.56 -70.95 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 120.546 -0.462 . . . . 0.0 112.078 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.28 163.81 17.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.436 -174.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 63' ' ' GLU . 33.5 t70 -42.74 172.94 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.789 1.236 . . . . 0.0 113.629 -177.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.412 ' H ' ' CG ' ' A' ' 62' ' ' ASP . 14.5 pt-20 -61.77 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.839 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.43 -55.59 31.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.262 0.553 . . . . 0.0 110.56 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.68 -41.61 80.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.708 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -57.18 14.02 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.595 -173.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -64.49 -34.37 78.06 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.67 -45.04 90.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.253 0.549 . . . . 0.0 109.669 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 73.0 mtm -62.93 -40.26 97.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.951 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.84 -47.35 75.26 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -62.56 -40.27 96.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.92 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.09 -25.66 66.33 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.505 0.669 . . . . 0.0 110.825 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.432 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 70.7 t90 -73.29 -44.03 59.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.31 -171.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.64 -45.9 67.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.828 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -60.72 -29.23 69.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.432 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 2.7 t60 -57.26 -43.17 82.81 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.831 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.7 ptp -79.06 -21.3 47.0 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -57.65 -48.01 80.67 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.58 -44.51 96.89 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -173.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.81 -35.91 69.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.219 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.52 -5.86 59.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.271 0.558 . . . . 0.0 111.018 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -85.32 -13.62 49.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.417 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.68 1.05 35.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.267 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -124.98 84.48 2.29 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.263 1.798 0 CA-C-O 117.877 -1.059 . . . . 0.0 112.789 -174.474 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.961 0.41 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.33 -42.23 97.83 Favored Glycine 0 CA--C 1.521 0.461 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.454 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.99 139.21 41.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.781 0.324 . . . . 0.0 111.013 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.9 pt? -136.93 145.62 44.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.392 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -111.21 147.24 35.42 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 120.776 0.322 . . . . 0.0 111.462 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -82.72 144.24 30.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.51 -34.18 2.72 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.612 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -88.1 -13.44 41.39 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.357 0.598 . . . . 0.0 110.517 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.76 -2.53 11.37 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -51.4 70.11 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.33 -34.36 25.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.09 0.472 . . . . 0.0 110.55 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -57.38 -48.42 79.1 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.084 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -62.84 -33.41 75.19 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.89 79.24 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.96 79.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.704 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.6 m -58.45 -40.88 83.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.867 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -62.82 -31.66 72.71 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -68.68 -36.49 78.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.886 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 mt -57.03 -33.27 67.03 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.056 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.55 -33.62 72.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -76.7 -15.04 59.9 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.06 -3.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.27 56.19 5.32 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 123.449 0.468 . . . . 0.0 111.328 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 pp -147.51 172.54 13.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.402 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.3 151.64 31.15 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 p -116.86 130.18 72.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.034 0.445 . . . . 0.0 111.885 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.2 pt -108.19 138.1 36.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.825 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -107.78 148.59 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.501 . . . . 0.0 111.889 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -131.3 125.07 31.85 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.337 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -145.63 115.49 7.34 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.114 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.4 ' H ' ' H ' ' A' ' 32' ' ' TYR . 6.3 p90 168.15 22.12 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.546 1.138 . . . . 0.0 110.054 175.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' H ' ' H ' ' A' ' 31' ' ' TRP . 87.5 t80 -102.24 121.88 43.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.69 -175.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 60.8 102.59 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.633 0.773 . . . . 0.0 112.063 178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 37' ' ' ARG . . . -168.19 86.8 0.21 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.993 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' CD2' HG23 ' A' ' 36' ' ' THR . 69.1 t80 -64.54 -67.67 0.42 Allowed 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.711 178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.445 HG23 ' CD2' ' A' ' 35' ' ' TYR . 10.7 p -117.5 -9.11 10.9 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.657 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 24.3 ptt-85 -96.32 -174.95 3.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -177.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -149.42 70.12 1.07 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -140.05 98.06 3.37 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.2 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 p -176.87 121.53 0.13 Allowed 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.0 mt -139.88 125.27 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -113.53 134.59 54.61 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.59 0.233 . . . . 0.0 111.573 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.44 110.2 22.34 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 ttt85 -106.35 125.9 51.58 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.036 0.446 . . . . 0.0 111.539 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.8 mm -106.12 126.56 61.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -139.89 144.98 37.45 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.84 154.28 36.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.354 0.597 . . . . 0.0 111.305 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.79 -30.7 63.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.604 -1.18 . . . . 0.0 112.826 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -92.43 22.66 4.42 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.824 -0.547 . . . . 0.0 111.33 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.87 55.48 9.46 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.863 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -135.94 135.59 39.74 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.7 pt? -73.66 147.89 43.3 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 122.203 -0.311 . . . . 0.0 110.518 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.45 -44.61 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' OD2' ' HZ2' ' A' ' 73' ' ' TRP . 41.0 t0 -176.66 173.51 1.98 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.307 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -148.26 143.7 27.15 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.487 0.315 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.5 m -150.03 143.0 24.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.464 0.173 . . . . 0.0 110.728 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.6 m -128.75 130.27 46.84 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -127.51 121.11 29.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -151.44 111.15 4.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.101 0.953 . . . . 0.0 113.164 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -171.85 153.74 3.36 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -88.28 80.65 7.48 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 119.104 -1.039 . . . . 0.0 112.431 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -144.6 104.05 4.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.711 171.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -55.29 -49.47 72.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -177.387 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -37.53 51.51 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.413 -0.915 . . . . 0.0 112.686 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.36 -41.72 91.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.76 -52.76 64.14 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -64.7 -34.6 78.69 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -57.98 -51.08 71.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.078 0.466 . . . . 0.0 110.605 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.5 mtm -61.26 -36.64 80.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.05 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.08 -49.38 76.16 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -72.55 -37.99 68.11 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.63 -33.09 75.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.141 0.496 . . . . 0.0 111.692 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.409 ' HZ2' ' OD2' ' A' ' 54' ' ' ASP . 78.6 t90 -72.76 -38.18 67.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.685 0.755 . . . . 0.0 110.14 -176.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 77' ' ' MET . 79.4 mt -65.75 -41.68 91.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.593 -177.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 49.2 t30 -61.53 -37.57 84.21 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.296 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -37.05 73.15 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 74' ' ' LEU . 20.8 ptp -76.53 -21.95 55.05 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.562 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 28.9 m-85 -59.09 -51.43 70.08 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.81 -46.8 89.1 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.51 -39.81 85.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.25 2.78 42.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 121.114 0.483 . . . . 0.0 112.109 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 61.4 mttm -86.04 -14.13 45.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.068 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.76 -38.42 89.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.089 0.471 . . . . 0.0 110.468 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -129.17 94.84 3.9 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.207 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.489 ' HA ' ' HE3' ' A' ' 85' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.518 0 CA-C-O 117.293 -1.337 . . . . 0.0 110.955 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptp . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.159 0.504 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.22 32.05 56.43 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.28 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -79.01 94.24 5.25 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 120.962 0.41 . . . . 0.0 111.855 -177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.79 129.81 55.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.877 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -117.96 -43.59 2.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.793 0.33 . . . . 0.0 110.987 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -88.17 -179.18 6.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.429 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.07 -131.81 6.27 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.391 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 69.4 3.85 4.36 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.506 0.722 . . . . 0.0 111.731 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.39 6.38 37.67 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -53.25 57.71 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.42 -27.87 29.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.368 0.604 . . . . 0.0 110.618 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -58.24 -46.49 85.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.583 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -62.35 -33.82 75.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.23 -26.94 53.14 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -24.29 67.69 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 m -59.03 -42.56 90.48 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.51 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -62.49 -36.47 82.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.135 0.493 . . . . 0.0 111.007 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -59.36 -35.78 74.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.378 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD23 ' OH ' ' A' ' 78' ' ' TYR . 91.3 mt -58.75 -42.68 89.43 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.951 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -64.86 -31.07 72.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.434 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -54.88 -44.34 74.0 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.1 tp -107.7 12.12 27.78 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 65.52 58.42 0.83 Allowed 'General case' 0 N--CA 1.48 1.075 0 CA-C-O 121.222 0.534 . . . . 0.0 112.277 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 4.3 pp -145.51 171.23 14.96 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.86 -179.46 6.71 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.495 0.183 . . . . 0.0 111.495 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 p -147.44 139.35 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.634 0.373 . . . . 0.0 110.302 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -129.78 141.1 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -125.28 152.9 44.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' OD2' ' HD2' ' A' ' 42' ' ' ARG . 35.0 m-20 -114.98 136.46 53.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.924 -177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -148.11 116.19 6.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 172.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.617 ' CD1' ' HA ' ' A' ' 37' ' ' ARG . 10.9 t90 48.87 77.33 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.41 0.684 . . . . 0.0 112.759 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -95.94 -80.36 0.43 Allowed 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.674 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -148.09 50.95 1.03 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.33 170.54 15.78 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.461 -0.774 . . . . 0.0 110.032 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -70.58 -3.65 19.2 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.299 0.64 . . . . 0.0 112.459 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -84.54 35.18 0.54 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 -175.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.617 ' HA ' ' CD1' ' A' ' 31' ' ' TRP . 4.9 tmm_? -36.25 -32.54 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.769 1.628 . . . . 0.0 113.961 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -176.3 0.26 Allowed 'General case' 0 CA--C 1.555 1.163 0 CA-C-O 121.279 0.562 . . . . 0.0 112.34 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.25 122.75 19.48 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 p -154.71 139.06 16.7 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.5 mt -133.69 128.57 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-O 120.667 0.27 . . . . 0.0 111.319 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HD2' ' OD2' ' A' ' 29' ' ' ASP . 31.7 ttm180 -124.99 136.22 53.52 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.836 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.81 121.49 43.76 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.718 0.407 . . . . 0.0 110.448 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -116.55 119.97 37.26 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.95 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.5 mm -108.77 130.09 62.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.432 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.5 160.05 43.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 110.98 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.99 163.45 17.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -80.44 12.58 2.93 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 123.267 0.627 . . . . 0.0 112.455 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -116.86 15.57 15.26 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.988 0.423 . . . . 0.0 109.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.18 3.85 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.621 -0.799 . . . . 0.0 111.504 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -153.56 115.91 4.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 52' ' ' LEU . 2.6 pt? -71.74 140.34 49.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.633 0.254 . . . . 0.0 110.555 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.1 mm -101.58 -51.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.739 0.305 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -164.85 166.55 19.56 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -148.54 147.12 28.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.661 0.385 . . . . 0.0 110.542 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.6 t -147.91 139.87 24.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.2 m -128.74 138.43 52.11 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -122.21 138.95 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.627 0.251 . . . . 0.0 111.246 -177.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 88.5 m-85 -132.72 125.76 30.96 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 6.6 t-80 170.4 121.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -77.75 78.46 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 118.191 -1.404 . . . . 0.0 110.303 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.656 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 1.1 m-20 -144.66 123.0 12.3 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.938 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -66.22 -58.62 4.99 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 120.844 0.354 . . . . 0.0 111.644 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.99 -43.99 77.64 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.063 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 87.3 t -62.42 -44.31 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.538 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.656 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -60.62 -53.18 60.64 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -59.92 -43.59 94.81 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -56.76 -43.14 80.5 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.583 0.23 . . . . 0.0 111.474 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 72.8 mtm -68.56 -41.08 80.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.236 0.541 . . . . 0.0 111.24 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.09 -38.18 82.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -173.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -74.56 -32.07 62.3 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -172.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -60.81 -53.3 58.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.542 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 81.2 t90 -55.61 -30.62 61.23 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.52 -44.75 95.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.735 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -75.39 -21.62 58.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.553 0.692 . . . . 0.0 110.639 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.542 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 5.8 t60 -56.64 -43.17 80.01 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.921 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.446 ' HB3' ' HE2' ' A' ' 77' ' ' MET . 17.8 ptp -67.15 -32.9 74.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.608 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 74.3 m-85 -59.07 -43.84 91.79 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.89 -30.5 70.91 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -80.95 -39.47 26.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.2 mt -78.5 -19.03 53.89 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.8 mttt -62.71 -35.26 79.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.537 0.208 . . . . 0.0 111.543 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -63.35 -37.6 87.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 111.612 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -133.21 98.06 4.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.516 0.674 . . . . 0.0 111.326 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt . . . . . 0 C--O 1.264 1.817 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.711 -179.504 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.993 0.425 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.71 -4.86 75.36 Favored Glycine 0 C--O 1.225 -0.432 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.997 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -65.88 -41.81 91.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 110.634 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.1 mt -98.64 151.01 21.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.988 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -106.52 133.54 51.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.672 0.272 . . . . 0.0 110.936 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.445 ' H ' ' HE3' ' A' ' 13' ' ' LYS . 2.6 m -151.39 157.88 43.0 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.31 -174.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.19 -19.19 39.95 Favored Glycine 0 N--CA 1.464 0.529 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -76.66 -80.56 0.09 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.382 -0.909 . . . . 0.0 110.035 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.689 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 97.3 mt -61.9 10.57 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.06 -52.45 58.49 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.448 0.567 . . . . 0.0 112.482 -175.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.77 83.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.386 0.612 . . . . 0.0 110.808 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.17 -43.53 78.45 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.215 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.689 ' HG3' ' O ' ' A' ' 9' ' ' LEU . 65.3 mttm -55.49 -35.06 65.15 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -29.17 65.21 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.49 -23.51 65.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.9 m -57.05 -47.29 81.32 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -66.99 -34.96 78.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.035 0.445 . . . . 0.0 111.63 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -70.93 -35.51 72.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -54.66 -37.07 65.27 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.225 0.61 . . . . 0.0 112.22 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -60.88 -34.38 74.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.951 0.405 . . . . 0.0 111.09 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -76.8 -9.42 58.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.495 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -110.4 -6.56 14.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.508 0.67 . . . . 0.0 110.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 62.89 48.32 4.05 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.926 172.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.17 171.26 15.19 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.5 -179.04 3.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.055 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 p -149.73 143.07 17.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.386 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.87 136.72 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.032 0.444 . . . . 0.0 111.044 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -116.11 152.48 33.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -126.51 127.46 45.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.338 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -159.92 129.77 5.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.941 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -163.36 3.84 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.05 0.452 . . . . 0.0 110.989 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -89.99 157.46 17.82 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.938 0.399 . . . . 0.0 111.756 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.02 -158.41 0.32 Allowed 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.183 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.84 75.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 -175.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.09 -47.18 68.93 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.798 0.332 . . . . 0.0 110.722 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.1 p -107.9 25.44 11.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 68.9 94.45 0.07 Allowed 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.174 0.59 . . . . 0.0 111.181 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -101.91 -60.38 1.54 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 66.04 94.58 0.06 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.14 128.47 36.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.714 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.92 125.86 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.825 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.51 ' HG2' HG23 ' A' ' 57' ' ' THR . 60.9 mtp180 -107.14 128.92 54.83 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.918 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.3 tp -109.98 111.06 22.22 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.512 ' HE ' ' CD ' ' A' ' 46' ' ' GLU . 25.9 ttt180 -110.95 128.55 55.87 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.4 mm -108.83 127.86 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' CD ' ' HE ' ' A' ' 44' ' ' ARG . 56.5 mt-10 -149.36 167.4 26.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.086 0.47 . . . . 0.0 111.769 178.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' ASN . 28.1 t70 -90.78 169.09 11.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.249 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.591 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -96.03 9.45 40.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.2 t -132.66 36.3 3.55 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.818 -0.551 . . . . 0.0 111.498 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.25 57.94 4.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.607 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 47.1 t30 -151.9 105.74 3.14 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 3.7 pp -75.25 146.05 41.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.77 -51.99 7.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -176.87 176.82 1.4 Allowed 'General case' 0 C--O 1.238 0.455 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.4 p -145.14 143.72 30.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.4 t -149.43 143.79 25.94 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.816 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.51 HG23 ' HG2' ' A' ' 42' ' ' ARG . 85.1 m -128.39 132.31 48.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.58 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.38 114.61 22.08 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.738 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.25 0.547 . . . . 0.0 111.245 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.5 t60 176.53 122.44 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -81.05 80.26 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.897 -1.121 . . . . 0.0 112.627 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 11.8 t70 -143.69 104.36 4.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.358 171.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -65.84 -50.45 64.53 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.68 -39.75 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -51.9 -56.48 13.82 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.165 -173.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.55 -29.47 68.04 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.01 -44.1 97.91 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 74.8 mtm -66.68 -36.63 82.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.1 m -63.8 -44.86 92.06 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 t -76.04 -33.2 59.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 110.938 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.93 -28.71 69.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 62.8 t90 -75.22 -37.81 60.95 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.828 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.32 -46.43 76.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.544 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.57 -31.63 72.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 38.5 t60 -55.64 -44.36 77.1 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.015 -178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.2 ptp -78.44 -22.66 47.32 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.604 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 52.4 m-85 -58.05 -46.02 86.07 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.26 -50.56 73.15 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -64.55 -39.97 94.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.587 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 85' ' ' LYS . 97.1 mt -81.64 -1.83 48.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -175.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 97.0 mttt -81.02 -20.53 41.54 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.683 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -104.87 -6.9 19.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -157.84 82.85 0.87 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.555 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 81' ' ' LEU . 14.5 ptmm? . . . . . 0 C--O 1.263 1.813 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.798 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 ttp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 121.068 0.461 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.94 154.83 16.39 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.969 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.478 ' HD3' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -133.13 13.88 4.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.862 0.363 . . . . 0.0 111.167 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -122.41 134.24 54.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.944 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -114.74 128.21 56.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -163.94 157.09 18.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.754 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.19 -22.23 70.69 Favored Glycine 0 C--N 1.335 0.497 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -81.76 -6.88 59.45 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.792 0.806 . . . . 0.0 108.883 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -117.95 -9.4 10.61 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.404 -1.271 . . . . 0.0 113.306 -175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.23 64.88 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.15 -39.55 60.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.163 0.506 . . . . 0.0 111.246 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.37 -51.56 69.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.81 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' A' ' 16' ' ' THR . 75.2 mmtt -66.79 -34.69 78.37 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -29.3 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 13' ' ' LYS . 96.6 m -61.31 -44.65 96.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.806 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.09 -27.63 68.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.099 0.476 . . . . 0.0 111.287 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 14.7 mptt -68.94 -34.41 75.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.656 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.2 mt -55.38 -37.89 68.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.272 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.11 -41.72 97.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.151 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -73.13 -8.67 56.8 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.436 0.636 . . . . 0.0 111.007 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 81' ' ' LEU . 28.1 tp -110.04 -5.53 15.39 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.456 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t70 60.23 46.2 10.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.086 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -150.04 178.16 9.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.562 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.04 145.63 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.595 0.236 . . . . 0.0 110.583 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -95.64 119.6 43.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 pt -97.2 129.49 47.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.828 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -117.81 157.17 27.07 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.159 0.504 . . . . 0.0 111.318 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 33.4 t70 -82.02 154.68 25.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.864 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -164.43 -179.71 6.19 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.9 t90 53.68 151.91 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CE2' ' HB3' ' A' ' 34' ' ' ALA . 5.8 t80 -149.19 129.99 14.21 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.863 177.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.5 -13.09 61.7 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.497 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -92.71 141.02 28.93 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.529 -178.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -86.25 -7.61 58.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.552 . . . . 0.0 110.087 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.0 p -71.79 -10.15 59.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.503 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 47.87 97.9 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.654 1.182 . . . . 0.0 114.156 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -125.32 155.09 40.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.625 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.24 137.48 54.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.072 -175.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 p -171.74 104.51 0.19 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.145 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -127.95 111.76 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.694 0.283 . . . . 0.0 110.4 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 73.8 mtt85 -112.09 135.27 52.96 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.79 111.29 22.36 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.375 0.27 . . . . 0.0 111.516 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -107.35 122.73 47.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.7 0.286 . . . . 0.0 111.103 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.3 mm -109.45 127.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.717 0.294 . . . . 0.0 111.127 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HA ' HG12 ' A' ' 53' ' ' ILE . 10.4 pt-20 -152.28 158.51 42.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.816 0.341 . . . . 0.0 110.848 176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -73.47 158.38 35.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.529 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -74.77 9.36 1.88 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -112.65 6.96 18.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.44 -18.9 56.07 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.568 -0.742 . . . . 0.0 113.432 -177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -62.56 120.52 11.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.852 0.326 . . . . 0.0 110.215 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.6 pp -69.99 146.69 50.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.312 0.577 . . . . 0.0 112.307 -177.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 46' ' ' GLU . 46.7 mm -110.98 -51.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.843 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -173.17 175.46 3.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.094 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -149.67 140.0 22.31 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -142.06 141.67 32.79 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.067 0.461 . . . . 0.0 111.69 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.9 m -121.14 128.08 52.18 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -107.61 114.63 28.74 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.46 127.99 15.07 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 172.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.494 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 5.3 t-80 -174.82 -155.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.96 -176.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 71.8 m-70 -61.7 163.78 6.88 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.015 0.926 . . . . 0.0 110.407 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' VAL . 16.4 t70 -43.16 159.56 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -35.63 -32.58 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.612 1.965 . . . . 0.0 115.862 -175.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -55.97 -43.21 77.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 118.369 0.531 . . . . 0.0 111.352 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 62' ' ' ASP . 8.7 p -73.94 -32.42 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.3 mm? -60.93 -51.89 67.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -172.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.48 -36.1 82.63 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.02 -43.44 98.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.0 0.429 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 76.1 mtm -67.94 -38.04 82.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.042 0.449 . . . . 0.0 111.057 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.8 m -61.06 -41.52 96.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.82 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -73.1 -41.54 63.93 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.662 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.92 -31.2 71.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 111.529 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 49.1 t90 -75.6 -42.64 51.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.015 0.912 . . . . 0.0 109.124 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.53 -41.41 84.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.628 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -62.99 -36.05 82.22 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.06 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.72 -42.52 75.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.667 -177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.8 ptp -77.05 -21.94 53.71 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 18' ' ' LYS . 44.1 m-85 -59.81 -47.17 86.79 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -40.29 76.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.75 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.69 -39.71 85.45 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.435 HD12 HD21 ' A' ' 22' ' ' LEU . 96.7 mt -78.91 -7.69 58.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 111.103 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -87.9 -15.38 36.83 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.716 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.59 -23.95 61.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.066 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -108.95 110.42 21.72 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.187 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 C--O 1.261 1.701 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.644 178.026 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.996 0.427 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.71 48.64 3.9 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.167 -0.54 . . . . 0.0 113.132 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -127.96 127.8 43.94 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt -117.14 151.12 37.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.187 0.518 . . . . 0.0 112.136 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -138.0 157.94 45.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.455 176.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -83.06 -76.62 0.27 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.621 0.248 . . . . 0.0 111.501 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.7 54.51 0.57 Allowed Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.525 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -128.32 -61.9 1.06 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.368 0.604 . . . . 0.0 110.387 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.42 3.93 0.61 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.9 67.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.6 -26.75 32.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.493 0.663 . . . . 0.0 110.334 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.089 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.43 -39.46 83.6 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.43 96.59 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.04 61.87 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -52.41 -44.32 65.32 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.32 -25.08 67.45 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.0 -35.86 79.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.715 0.293 . . . . 0.0 111.352 -177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.3 -34.3 70.41 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.511 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.77 -30.75 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.898 0.38 . . . . 0.0 110.748 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -77.62 -9.3 58.88 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.112 0.482 . . . . 0.0 110.706 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD23 HD21 ' A' ' 24' ' ' LEU . 33.0 tp -115.44 -5.9 12.28 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.776 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 58.36 57.45 3.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.672 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD21 HD23 ' A' ' 22' ' ' LEU . 1.6 pp -147.71 176.69 9.9 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.33 177.57 6.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.139 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' CG2' HD11 ' A' ' 43' ' ' LEU . 3.7 p -151.13 124.95 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.579 0.228 . . . . 0.0 111.086 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.62 147.56 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 121.082 0.468 . . . . 0.0 112.21 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -121.39 163.39 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.544 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 77.1 m-20 -104.15 120.28 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.35 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.04 -179.69 7.46 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -68.19 153.84 42.93 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.916 0.389 . . . . 0.0 111.703 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -99.08 5.71 46.87 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 61.59 26.95 16.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.996 0.518 . . . . 0.0 111.422 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.66 106.6 13.71 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -50.21 -17.1 0.38 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 174.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -92.62 -3.84 54.31 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.546 0.688 . . . . 0.0 110.172 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -112.65 131.37 55.67 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -106.45 115.47 30.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.474 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -152.87 175.69 12.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.977 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.1 t -157.67 -90.08 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.6 mm -125.26 111.37 27.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 35.3 mtp-105 -109.45 126.43 53.48 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD11 ' CG2' ' A' ' 26' ' ' VAL . 28.9 tp -104.88 111.63 24.45 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.019 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.7 ttm105 -108.77 125.08 51.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.083 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.68 126.43 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.42 -178.4 5.6 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 51' ' ' ASN . 28.5 t70 -124.0 150.38 44.93 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.227 0.537 . . . . 0.0 112.165 -176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.705 ' H ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -94.38 11.56 30.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.792 -178.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 23.0 t -118.04 20.38 13.28 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.82 2.95 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.126 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 47' ' ' ASP . 65.2 m-80 -147.95 154.8 40.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.71 127.24 56.07 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.4 mm -102.43 -62.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -174.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -166.22 167.89 15.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.705 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 m -151.86 142.3 22.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.231 0.612 . . . . 0.0 109.686 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 m -151.73 150.94 30.77 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.57 0.224 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -120.37 124.02 44.51 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.23 119.57 38.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -154.33 129.64 9.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.607 -1.256 . . . . 0.0 107.607 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.506 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 20.9 t-80 -171.41 -166.95 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.396 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.506 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -61.11 167.33 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 124.381 1.072 . . . . 0.0 109.997 174.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.558 ' O ' HG12 ' A' ' 65' ' ' VAL . 24.5 t70 -36.66 142.37 0.1 Allowed 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -39.4 -24.48 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.853 2.061 . . . . 0.0 114.972 -176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.4 -50.55 67.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 62' ' ' ASP . 14.8 p -75.3 -33.62 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-O 121.161 0.505 . . . . 0.0 111.753 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.8 -56.57 16.26 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -172.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -71.76 -25.39 62.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.94 -42.02 93.11 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.761 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.02 -35.78 78.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.265 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -62.26 -41.78 98.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.9 t -67.5 -37.77 83.33 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.273 0.559 . . . . 0.0 110.665 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.22 -27.57 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.509 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 83.2 t90 -73.94 -44.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.623 -175.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.04 -47.98 78.06 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.36 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 40.5 m-80 -61.27 -32.72 72.54 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.978 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 3.3 t60 -55.42 -41.0 72.17 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.6 ptp -77.05 -21.35 54.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 39.5 m-85 -55.87 -50.99 69.11 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.48 -41.28 98.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.02 0.438 . . . . 0.0 111.472 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.435 ' O ' ' HB3' ' A' ' 84' ' ' TRP . 96.3 mt-30 -58.74 -30.63 67.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.491 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.1 mt -92.92 -2.7 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 98.7 mttt -85.5 -49.15 8.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -134.9 42.65 2.78 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.435 ' HB3' ' O ' ' A' ' 80' ' ' GLN . 13.4 p-90 -81.77 47.83 1.13 Allowed 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.973 -1.079 . . . . 0.0 111.688 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.5 pttt . . . . . 0 C--O 1.262 1.743 0 C-N-CA 124.979 1.311 . . . . 0.0 113.856 177.134 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.63 ' HB2' ' O ' ' A' ' 31' ' ' TRP . 97.7 mmm . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.565 0.222 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.89 -174.06 13.28 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.493 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' HA ' ' OD1' ' A' ' 30' ' ' ASP . 42.1 ttp180 -171.16 114.31 0.4 Allowed 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.405 0.682 . . . . 0.0 109.411 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -89.14 147.91 23.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.045 0.45 . . . . 0.0 111.308 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -143.21 131.75 22.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.85 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -166.43 -158.69 0.33 Allowed 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.4 -157.12 25.87 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.3 m120 71.11 -9.97 0.81 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.317 0.647 . . . . 0.0 112.016 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.74 10.27 6.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.01 -48.53 70.36 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.27 -28.87 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.564 0.697 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.56 -46.95 85.81 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.384 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -59.98 -35.08 74.24 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.118 0.567 . . . . 0.0 112.478 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.16 -39.87 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.844 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.02 64.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 m -67.07 -42.92 83.87 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.711 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -60.25 -30.46 69.45 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.367 0.604 . . . . 0.0 110.985 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -62.71 -33.62 75.48 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.512 HD23 ' OH ' ' A' ' 78' ' ' TYR . 91.8 mt -53.1 -48.56 67.71 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.23 0.331 . . . . 0.0 111.631 -173.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -66.53 -30.51 70.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 111.272 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.2 -32.84 74.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.633 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.6 tp -111.12 5.75 20.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.972 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 71.37 42.15 0.71 Allowed 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.137 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.93 166.7 22.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.962 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -155.08 151.36 28.25 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.399 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.91 138.32 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -116.24 140.16 39.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 120.928 0.394 . . . . 0.0 110.271 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -119.82 156.33 30.87 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.066 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -141.55 136.22 30.91 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.5 ' OD1' ' HA ' ' A' ' 3' ' ' ARG . 4.4 p-10 -149.15 136.47 20.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.368 0.417 . . . . 0.0 109.996 -178.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.63 ' O ' ' HB2' ' A' ' 1' ' ' MET . 71.5 t-105 92.44 108.51 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.098 0.959 . . . . 0.0 110.742 175.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -149.36 -163.89 1.89 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.572 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.13 116.44 4.55 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.755 0.312 . . . . 0.0 110.464 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 179.93 80.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.199 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -59.66 -37.82 79.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 21.7 p -67.56 -9.5 43.25 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 36' ' ' THR . 67.6 mtm180 69.61 -173.77 0.18 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.835 0.454 . . . . 0.0 111.215 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 67.45 50.94 0.89 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.223 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -78.5 177.25 8.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.086 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 p -113.72 -162.52 0.81 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.67 135.01 29.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.898 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -124.17 136.07 53.92 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.657 0.265 . . . . 0.0 111.238 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mp -108.2 124.6 50.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.288 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -121.93 123.58 42.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.283 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.8 mm -97.43 132.33 42.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -132.83 145.47 51.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.58 162.11 19.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -85.61 6.44 27.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.6 t -117.42 20.32 13.64 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.07 -33.77 4.55 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.554 -0.748 . . . . 0.0 113.204 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -51.88 153.52 2.5 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.37 0.605 . . . . 0.0 112.451 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 52' ' ' LEU . 1.3 pt? -107.73 137.14 46.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -94.86 -61.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -164.87 169.54 16.46 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.382 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 p -145.05 141.31 28.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.379 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -143.81 136.35 27.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.837 0.351 . . . . 0.0 110.707 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.2 m -120.22 128.79 53.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.673 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -111.84 131.42 55.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.459 -178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -141.88 110.72 6.2 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.557 0.694 . . . . 0.0 112.081 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -160.98 141.74 11.45 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -94.31 76.77 3.94 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 117.795 -1.562 . . . . 0.0 111.877 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' HB3' ' HB ' ' A' ' 65' ' ' VAL . 18.0 t70 -146.52 117.92 7.93 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.211 171.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -57.75 -49.39 76.73 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.97 -48.72 62.46 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 62' ' ' ASP . 72.0 t -60.38 -42.84 92.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.151 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.487 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 0.4 OUTLIER -56.52 -56.83 16.31 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.716 0.293 . . . . 0.0 110.744 -174.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -58.39 -45.18 88.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.58 -44.94 95.05 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.813 0.34 . . . . 0.0 111.606 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.487 ' HE2' ' HA ' ' A' ' 66' ' ' LEU . 73.2 mtm -55.33 -42.35 73.65 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.157 177.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.7 m -65.65 -40.4 92.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 t -76.49 -34.76 58.64 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.34 -51.41 67.73 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.459 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 93.0 t90 -57.36 -35.85 70.46 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.95 -43.66 95.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.654 0.264 . . . . 0.0 111.282 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.67 -35.99 82.82 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.814 0.816 . . . . 0.0 109.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 73' ' ' TRP . 7.6 t60 -56.29 -30.85 63.04 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.204 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtp -64.05 -40.06 95.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.397 0.618 . . . . 0.0 110.454 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.512 ' OH ' HD23 ' A' ' 19' ' ' LEU . 95.2 m-85 -64.05 -38.12 89.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.67 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.19 -22.88 67.16 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.544 -176.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -95.18 -41.7 8.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.111 0.481 . . . . 0.0 110.664 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.55 -33.04 74.24 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.428 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.41 -36.87 85.25 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.905 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.64 -39.21 84.64 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -98.63 138.67 35.49 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 C--O 1.265 1.889 0 CA-C-O 117.53 -1.224 . . . . 0.0 110.71 -175.114 . . . . . . . . 0 0 . 1 stop_ save_