data_6kg9_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6kg9 _Structure_validation_residue.Date_analyzed 2020-07-03 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 ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 tt . . . . . 0 N--CA 1.431 -1.382 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.45 115.71 5.4 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.26 -18.76 15.56 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -116.02 87.71 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 122.841 1.305 . . . . 0.0 110.574 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.28 -36.09 40.3 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 112.804 -1.998 . . . . 0.0 112.862 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.23 -1.74 58.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t70 59.92 62.11 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.116 1.366 . . . . 0.0 111.078 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -119.13 -2.45 10.73 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.11 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.23 12.21 63.63 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.655 -0.702 . . . . 0.0 114.071 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -152.87 141.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-N 117.285 0.543 . . . . 0.0 111.287 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.22 97.38 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 CA-C-O 121.525 0.679 . . . . 0.0 109.702 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -126.73 173.97 9.11 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.51 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.44 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -63.22 -16.23 57.65 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 113.828 -178.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.2 mmt180 -72.99 -25.59 61.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -70.24 -37.24 74.92 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.448 ' CD1' HG22 ' A' ' 58' ' ' VAL . 1.7 mp -53.5 -44.19 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.534 1.134 . . . . 0.0 110.231 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.667 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 25.5 t -57.06 -53.94 36.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.97 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.0 mmm -59.92 -41.85 92.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.442 1.097 . . . . 0.0 110.412 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -54.15 -58.28 7.96 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 125.326 1.451 . . . . 0.0 108.949 176.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.03 -31.57 71.98 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.597 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 28.7 mm-40 -62.46 -56.5 17.57 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.58 -42.23 91.96 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.928 -176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 21' ' ' MET . 91.7 mt -56.28 -39.95 73.49 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.979 0.799 . . . . 0.0 111.245 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.73 -18.95 60.93 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.914 0.485 . . . . 0.0 111.431 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.41 19.96 10.81 Favored Glycine 0 N--CA 1.415 -2.723 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.88 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.71 152.96 21.74 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -93.14 110.71 22.21 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.15 110.73 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.301 -171.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -76.15 124.38 27.34 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.74 24.41 27.98 Favored Glycine 0 CA--C 1.498 -1.019 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.51 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 tt -102.91 153.28 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.808 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.66 97.0 8.65 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HA ' HD11 ' A' ' 38' ' ' LEU . 36.2 ttpt -63.59 -16.81 61.89 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -86.78 -21.74 26.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.01 -4.81 54.17 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.579 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 35' ' ' LYS . 8.3 mp -77.98 -28.45 49.33 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.273 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -86.39 78.15 9.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.644 1.212 . . . . 0.0 109.747 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.6 mt -74.68 -36.37 40.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 CA-C-N 113.192 -1.822 . . . . 0.0 112.314 -173.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -81.53 -10.79 59.38 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.527 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.82 58.66 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.918 -0.583 . . . . 0.0 114.155 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -114.64 -10.51 12.48 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 122.439 -0.448 . . . . 0.0 111.053 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.65 -3.72 61.21 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 116.107 -0.497 . . . . 0.0 113.246 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.99 149.72 52.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.835 0.35 . . . . 0.0 110.738 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.58 105.56 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -135.83 177.28 7.95 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.83 -174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -68.45 -18.08 71.28 Favored Glycine 0 C--O 1.217 -0.938 0 C-N-CA 121.729 -0.272 . . . . 0.0 112.638 -177.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 28.0 mmm180 -59.89 -41.21 91.13 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -69.57 -37.12 76.86 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.028 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.479 ' O ' HG13 ' A' ' 55' ' ' ILE . 28.3 tp -59.61 -44.93 93.26 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.525 176.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 91.2 mtp -65.62 -36.74 84.58 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.154 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 60.8 mm-40 -65.87 -38.96 90.18 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 122.899 0.48 . . . . 0.0 110.486 174.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.02 -47.23 81.08 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.308 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.6 mt -55.88 -41.64 67.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.8 ttmt -55.9 -50.53 70.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.231 175.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.8 mmmt -64.01 -52.72 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.717 0.77 . . . . 0.0 111.069 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 18' ' ' ILE . 75.0 t . . . . . 0 C--N 1.294 -1.813 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.909 -175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.43 -1.461 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.39 113.42 2.91 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.475 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.62 -16.59 21.36 Favored Glycine 0 N--CA 1.427 -1.917 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.975 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -118.87 87.97 2.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.897 1.332 . . . . 0.0 109.764 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 6.8 mp -78.79 -37.0 42.0 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 112.865 -1.971 . . . . 0.0 111.8 -172.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -87.32 -4.1 59.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.468 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 57.97 62.67 1.99 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.907 1.283 . . . . 0.0 111.383 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -115.4 -6.13 12.31 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.763 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.82 53.08 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.725 -0.671 . . . . 0.0 114.772 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 p -156.23 149.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.74 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -78.34 97.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 122.036 0.922 . . . . 0.0 109.913 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -126.04 176.32 7.1 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.031 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.447 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -63.3 -21.67 64.52 Favored Glycine 0 N--CA 1.472 1.076 0 N-CA-C 113.708 0.243 . . . . 0.0 113.708 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -63.15 -32.14 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.485 0.714 . . . . 0.0 110.704 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -69.47 -38.95 77.94 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.942 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.447 HD12 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -53.12 -42.39 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.228 1.011 . . . . 0.0 110.442 175.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.617 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 24.3 t -60.48 -52.7 58.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.81 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 69.6 mmm -62.13 -38.8 90.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.77 0.828 . . . . 0.0 110.598 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 tpt -54.61 -56.54 17.96 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 125.4 1.48 . . . . 0.0 108.971 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -63.76 -33.92 76.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.284 -1.325 . . . . 0.0 112.841 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.5 mm-40 -59.61 -57.37 13.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.354 0.597 . . . . 0.0 110.285 177.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -66.37 -41.42 89.48 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.954 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.46 -33.32 67.83 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.781 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.81 -1.88 48.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.039 0.447 . . . . 0.0 111.234 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.01 18.69 57.46 Favored Glycine 0 N--CA 1.43 -1.739 0 CA-C-N 116.161 -0.472 . . . . 0.0 113.155 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -89.08 154.52 20.11 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.002 0.43 . . . . 0.0 110.669 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m -90.61 113.74 25.85 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.74 115.91 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 p -76.25 117.51 18.01 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.2 34.11 13.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.134 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt -103.7 146.29 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -89.78 97.84 11.42 Favored 'General case' 0 CA--C 1.482 -1.651 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -53.03 -28.6 25.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.051 0.94 . . . . 0.0 112.753 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -86.06 -18.75 31.58 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -173.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.24 -9.08 59.06 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' HG ' ' CD2' ' A' ' 7' ' ' LEU . 7.8 mp -77.03 -25.75 52.94 Favored 'General case' 0 C--O 1.199 -1.579 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.721 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.27 76.09 9.22 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 122.995 1.378 . . . . 0.0 109.67 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -75.0 -34.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.202 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -82.74 -8.87 59.56 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.96 58.42 6.8 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 114.924 0.73 . . . . 0.0 114.924 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -115.19 -18.22 11.19 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 117.128 0.464 . . . . 0.0 111.255 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.9 -1.14 51.79 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 121.303 -0.475 . . . . 0.0 113.486 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.26 152.2 51.93 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 122.486 -0.42 . . . . 0.0 110.18 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.68 105.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -135.47 175.98 9.09 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.05 -20.89 69.35 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-N 116.55 -0.295 . . . . 0.0 112.444 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -60.55 -40.12 90.4 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.05 0.54 . . . . 0.0 109.808 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -69.42 -39.69 77.71 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.884 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.39 -44.79 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.593 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.13 -40.58 94.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.524 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 68.0 mm-40 -64.73 -40.9 96.1 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 176.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.24 -47.03 84.19 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 122.804 0.442 . . . . 0.0 110.824 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.19 -40.81 82.01 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -58.18 -43.08 87.33 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.358 1.063 . . . . 0.0 111.523 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.8 mmmt -68.1 -49.56 60.45 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.845 0.458 . . . . 0.0 110.893 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.407 HG23 ' CD1' ' A' ' 18' ' ' ILE . 69.9 t . . . . . 0 C--N 1.311 -1.086 0 C-N-CA 123.787 0.835 . . . . 0.0 112.302 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.416 -2.126 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.43 118.47 5.2 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.978 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.85 -20.85 23.89 Favored Glycine 0 N--CA 1.424 -2.122 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.288 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -111.81 93.04 4.26 Favored 'General case' 0 N--CA 1.414 -2.263 0 CA-C-O 122.211 1.005 . . . . 0.0 109.569 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -79.25 -35.77 40.94 Favored 'General case' 0 C--N 1.279 -2.47 0 CA-C-N 113.804 -1.544 . . . . 0.0 112.537 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -90.46 -3.29 57.75 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.501 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 t0 58.49 64.42 1.47 Allowed 'General case' 0 C--O 1.242 0.664 0 CA-C-O 122.562 1.172 . . . . 0.0 112.344 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.0 p30 -118.87 -6.3 10.55 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.877 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.24 10.8 70.58 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 115.083 0.793 . . . . 0.0 115.083 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.35 124.8 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.57 0 CA-C-O 121.247 0.546 . . . . 0.0 110.793 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.3 m -70.87 97.86 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 CA-C-O 121.654 0.74 . . . . 0.0 110.133 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.71 -171.09 2.33 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.54 -24.24 70.87 Favored Glycine 0 C--N 1.313 -0.75 0 CA-C-N 115.656 -0.702 . . . . 0.0 114.447 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.0 mmt180 -65.78 -29.67 70.2 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 117.326 0.563 . . . . 0.0 110.083 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.17 -41.99 76.46 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.8 -42.35 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.703 1.201 . . . . 0.0 110.566 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.624 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.6 t -62.93 -53.02 52.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.909 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 75.6 mmm -60.16 -38.25 82.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.833 0.853 . . . . 0.0 110.749 -177.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 tpt -55.62 -56.56 18.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 124.967 1.307 . . . . 0.0 108.859 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.63 -29.38 70.39 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.582 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.5 mm-40 -62.78 -57.75 9.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.025 0.44 . . . . 0.0 109.839 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.84 -42.86 94.58 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.642 -176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.112 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.56 -11.98 60.61 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 120.844 0.354 . . . . 0.0 111.481 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 22.56 18.56 Favored Glycine 0 N--CA 1.424 -2.164 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -96.77 151.17 19.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.6 m -91.17 113.03 25.19 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.92 114.43 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -174.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -76.42 120.25 21.4 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.588 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.27 17.31 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.5 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 38' ' ' LEU . 16.4 tt -102.35 144.45 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.94 96.39 10.66 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -55.79 -31.5 62.67 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -170.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -78.64 -15.86 58.01 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.96 -5.07 58.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.963 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 33' ' ' ILE . 9.1 mp -80.75 -27.14 36.91 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.333 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.44 77.34 9.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.805 1.288 . . . . 0.0 109.658 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -74.35 -36.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.084 -173.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -81.15 -11.55 59.43 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.539 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.78 58.33 5.85 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.268 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -114.57 -14.39 12.09 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.142 -0.622 . . . . 0.0 110.736 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.12 -11.22 55.43 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.407 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 154.68 41.92 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 117.29 0.545 . . . . 0.0 110.405 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -95.0 105.27 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -135.71 178.44 7.04 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.26 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.91 68.8 Favored Glycine 0 C--O 1.224 -0.519 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.725 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -65.66 -39.95 91.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.74 -40.57 84.16 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.427 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 55' ' ' ILE . 31.1 tp -57.39 -46.95 82.89 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.072 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.2 mtt -66.94 -31.54 72.19 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.191 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.0 mm-40 -68.22 -41.04 81.87 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.73 -45.76 91.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.337 0.655 . . . . 0.0 111.156 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.4 mt -59.85 -43.21 91.44 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.48 -47.67 72.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.057 0.943 . . . . 0.0 111.49 173.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.2 mmmt -60.22 -54.23 48.27 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.462 0.705 . . . . 0.0 110.643 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.694 -174.533 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tt . . . . . 0 N--CA 1.41 -2.433 0 CA-C-O 122.345 1.069 . . . . 0.0 108.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.0 mt -67.25 109.58 3.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.287 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.6 -14.88 9.19 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.698 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -119.0 85.07 2.3 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 123.099 1.428 . . . . 0.0 110.367 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.94 -33.66 45.16 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.359 -2.2 . . . . 0.0 111.98 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -89.53 -2.24 58.29 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.662 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.14 63.39 1.91 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.537 1.135 . . . . 0.0 111.748 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -120.9 1.41 10.44 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.681 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.03 61.96 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.89 147.34 13.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 117.363 0.581 . . . . 0.0 111.659 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.52 100.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 CA-C-O 121.994 0.902 . . . . 0.0 109.095 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -126.11 174.68 8.3 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.921 -177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.65 -19.42 62.72 Favored Glycine 0 N--CA 1.464 0.56 0 CA-C-N 116.494 -0.321 . . . . 0.0 113.843 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.3 mmt180 -66.43 -32.06 73.21 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -67.59 -38.75 84.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.744 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.463 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -53.47 -44.38 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.182 0.993 . . . . 0.0 110.234 174.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 26.5 t -58.52 -54.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.67 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.5 mmm -57.99 -41.31 82.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.236 1.015 . . . . 0.0 110.684 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.402 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -54.79 -57.36 11.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.479 1.512 . . . . 0.0 108.994 177.714 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -64.59 -30.81 71.84 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.75 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -62.81 -56.78 14.41 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 123.262 0.351 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -63.99 -43.49 95.54 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.566 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.54 -33.55 71.55 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.061 0.851 . . . . 0.0 112.243 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.48 59.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.808 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.5 14.33 8.97 Favored Glycine 0 N--CA 1.413 -2.836 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.531 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -89.12 151.94 21.92 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 117.401 0.601 . . . . 0.0 109.965 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.6 m -98.04 106.42 18.71 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 175.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.31 110.37 21.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.904 -171.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 t -76.13 119.57 20.23 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 19.71 25.15 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.061 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.443 ' CD1' HD12 ' A' ' 38' ' ' LEU . 17.8 tt -103.28 148.47 8.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.05 102.24 15.0 Favored 'General case' 0 CA--C 1.475 -1.928 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.3 ttpt -63.71 -22.69 67.03 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 123.7 0.625 . . . . 0.0 111.9 -172.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -75.02 -26.24 59.34 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.114 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.26 -4.27 55.03 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.443 HD12 ' CD1' ' A' ' 33' ' ' ILE . 8.2 mp -79.72 -27.3 40.65 Favored 'General case' 0 C--O 1.197 -1.681 0 O-C-N 123.775 0.672 . . . . 0.0 111.646 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -88.09 78.5 8.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.464 1.126 . . . . 0.0 109.194 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.483 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 54.2 mt -73.91 -37.68 48.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.472 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -82.95 -5.5 59.08 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.708 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.77 56.15 14.15 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.437 -0.801 . . . . 0.0 114.69 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -111.87 -8.33 14.12 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 117.359 0.579 . . . . 0.0 110.859 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.56 -6.9 59.32 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 115.916 -0.584 . . . . 0.0 113.013 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.59 151.42 51.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 0.0 111.522 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.41 106.62 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.885 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -136.67 178.26 7.21 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.218 -176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.93 -18.17 68.4 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 121.613 -0.327 . . . . 0.0 113.46 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.92 -41.44 91.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.234 0.54 . . . . 0.0 109.66 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.74 -39.86 80.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.731 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 55' ' ' ILE . 34.6 tp -59.04 -44.69 91.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.744 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 71.4 mtp -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.672 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 52.1 mm-40 -68.07 -39.15 83.0 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.218 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.14 -46.32 87.76 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.235 0.614 . . . . 0.0 110.932 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.9 mt -56.55 -48.88 79.67 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.507 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -51.98 -46.28 64.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.543 1.137 . . . . 0.0 112.196 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -61.51 -55.44 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.19 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 C--N 1.311 -1.078 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.769 -177.623 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.419 -2.005 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.85 111.38 1.86 Allowed 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -175.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.98 -20.53 10.67 Favored Glycine 0 N--CA 1.426 -2.002 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.027 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -116.73 88.77 2.97 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-O 122.971 1.367 . . . . 0.0 109.615 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.76 -38.8 37.74 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.891 -1.958 . . . . 0.0 111.866 -172.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -86.88 -3.17 59.04 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.793 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 60.29 62.48 1.58 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 122.73 1.253 . . . . 0.0 111.556 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -119.5 3.54 11.23 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.769 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.48 5.24 75.66 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.091 -0.958 . . . . 0.0 114.601 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -151.28 139.65 14.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 116.962 0.381 . . . . 0.0 111.472 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.13 98.13 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-O 121.862 0.839 . . . . 0.0 109.055 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -126.33 177.7 6.28 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.144 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.474 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -62.04 -24.25 64.76 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.861 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.1 mmt180 -65.04 -31.72 73.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 122.666 -0.314 . . . . 0.0 110.507 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.83 -39.59 90.97 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.978 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.7 mp -51.67 -45.12 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.548 175.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.662 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -60.51 -54.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.597 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 70.7 mmm -57.55 -42.4 82.93 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.29 1.036 . . . . 0.0 110.601 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 tpt -55.24 -57.17 12.89 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 109.199 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -30.25 71.35 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.049 -1.432 . . . . 0.0 112.569 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 30.3 mm-40 -62.8 -57.24 11.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.634 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -65.16 -41.79 94.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.51 -33.87 68.5 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.441 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.01 -0.03 26.27 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.979 0.511 . . . . 0.0 111.858 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.53 61.78 Favored Glycine 0 N--CA 1.419 -2.485 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.854 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -88.54 157.36 18.64 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 117.41 0.605 . . . . 0.0 109.58 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.3 m -97.84 113.64 25.49 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.2 108.97 19.21 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.388 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -76.04 116.79 17.09 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.11 32.13 8.06 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.745 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 38' ' ' LEU . 17.6 tt -110.84 152.57 12.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.15 97.8 11.36 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 170.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.0 ttpt -60.02 -18.87 49.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.896 0.878 . . . . 0.0 112.687 -172.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.54 -21.75 25.24 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 122.95 0.5 . . . . 0.0 109.808 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.52 -4.23 53.15 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.043 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 33' ' ' ILE . 8.2 mp -78.88 -25.48 43.9 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.85 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.13 76.99 9.18 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-O 122.637 1.208 . . . . 0.0 108.668 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.17 -34.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 112.838 -1.983 . . . . 0.0 111.946 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.882 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.51 58.41 5.45 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.923 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -114.66 -13.44 12.1 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 117.236 0.518 . . . . 0.0 111.046 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.98 -9.25 54.91 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.527 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.09 153.58 47.51 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 117.237 0.519 . . . . 0.0 110.573 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.32 104.97 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.36 178.86 6.74 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.713 -174.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.22 -16.79 69.42 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.626 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -62.38 -42.8 99.69 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -68.06 -40.96 82.64 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.57 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 55' ' ' ILE . 35.5 tp -57.65 -43.83 85.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.908 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 40.3 mtt -69.9 -29.86 67.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.143 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.3 mm-40 -70.19 -38.29 75.3 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.81 -45.01 91.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 51' ' ' LEU . 77.0 mt -57.57 -45.87 86.2 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.4 tttt -54.14 -49.49 69.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.387 1.075 . . . . 0.0 111.412 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.4 mmmt -63.43 -56.48 15.86 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.734 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 18' ' ' ILE . 71.7 t . . . . . 0 C--N 1.297 -1.716 0 C-N-CA 123.966 0.907 . . . . 0.0 113.255 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 tt . . . . . 0 N--CA 1.416 -2.168 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.7 mt -60.32 115.37 3.48 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.366 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.12 -15.34 20.88 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -118.53 84.76 2.24 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-O 122.612 1.196 . . . . 0.0 109.354 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.17 -37.17 46.42 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.618 -173.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -85.64 -3.83 58.99 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 59.55 63.11 1.59 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 124.572 1.17 . . . . 0.0 111.92 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -122.3 4.55 9.72 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.65 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.38 10.96 72.97 Favored Glycine 0 CA--C 1.499 -0.93 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -154.45 142.69 13.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 117.114 0.457 . . . . 0.0 110.345 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -78.7 96.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.175 0 CA-C-O 122.028 0.918 . . . . 0.0 108.94 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -125.07 174.66 7.88 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.996 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.79 -24.41 62.37 Favored Glycine 0 N--CA 1.47 0.9 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.24 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.494 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.2 mmt180 -64.32 -31.29 72.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.837 0.351 . . . . 0.0 110.34 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.08 -37.7 81.52 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.273 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -52.33 -45.06 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.117 0.967 . . . . 0.0 110.164 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.618 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.7 t -59.26 -52.71 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.657 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.7 mmm -60.02 -41.8 92.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.157 0.983 . . . . 0.0 110.462 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.419 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.2 tpt -54.37 -57.44 11.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.309 1.443 . . . . 0.0 108.679 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.47 -35.39 75.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.648 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 7.6 mm-40 -60.37 -55.34 34.75 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 120.875 0.369 . . . . 0.0 110.627 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -66.16 -41.74 89.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.932 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 21' ' ' MET . 85.0 mt -55.79 -40.22 72.38 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.0 0.813 . . . . 0.0 111.234 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.14 60.91 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.5 10.14 Favored Glycine 0 N--CA 1.422 -2.277 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.392 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -88.1 148.88 24.25 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -85.36 107.61 17.44 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.91 111.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.02 117.52 17.82 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.34 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.79 28.09 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.292 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CD1' HD12 ' A' ' 38' ' ' LEU . 18.3 tt -97.17 150.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -85.54 99.92 11.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 169.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -69.67 -12.09 61.36 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 123.82 0.7 . . . . 0.0 112.077 -170.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -88.23 -24.95 23.11 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.76 35.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.145 -173.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 33' ' ' ILE . 8.5 mp -78.55 -24.25 45.74 Favored 'General case' 0 CA--C 1.478 -1.827 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.297 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.02 74.64 5.55 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-O 122.832 1.301 . . . . 0.0 110.132 -175.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 33.6 mt -74.31 -28.5 22.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 112.813 -1.994 . . . . 0.0 112.185 -172.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -85.96 -9.87 56.13 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.196 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.48 51.57 47.2 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.645 -0.707 . . . . 0.0 114.8 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 p30 -114.81 -19.33 11.06 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 117.742 0.771 . . . . 0.0 110.86 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.87 -10.59 55.79 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 121.359 -0.448 . . . . 0.0 113.724 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.15 130.89 53.93 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 117.537 0.668 . . . . 0.0 109.748 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.21 107.92 14.67 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.596 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -135.55 177.36 7.88 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.724 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.75 -15.16 57.36 Favored Glycine 0 C--O 1.22 -0.751 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.025 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.5 mtm180 -67.85 -34.08 76.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -72.91 -38.49 66.86 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 55' ' ' ILE . 43.5 tp -58.86 -43.79 90.88 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.028 175.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 67.7 mtt -62.33 -37.51 85.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 177.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.78 -39.21 84.1 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.58 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.47 -47.69 78.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.616 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.9 mt -58.39 -44.25 88.2 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -52.8 -46.81 67.83 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.424 1.089 . . . . 0.0 111.66 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -64.49 -54.6 29.9 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.747 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 18' ' ' ILE . 59.5 t . . . . . 0 C--N 1.308 -1.203 0 C-N-CA 123.657 0.783 . . . . 0.0 112.04 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.0 tt . . . . . 0 N--CA 1.421 -1.877 0 CA-C-O 121.084 0.468 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.5 mt -60.0 118.51 6.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.767 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.45 -15.76 29.66 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.394 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -117.18 86.07 2.44 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-O 122.938 1.352 . . . . 0.0 109.438 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.77 -36.35 43.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 112.812 -1.994 . . . . 0.0 111.72 -173.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -85.92 -4.94 59.29 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 59.37 62.37 1.81 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.708 1.242 . . . . 0.0 111.416 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -118.17 3.89 12.0 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.758 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.04 8.94 74.7 Favored Glycine 0 N--CA 1.438 -1.19 0 CA-C-N 115.026 -0.988 . . . . 0.0 114.144 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -153.5 139.73 11.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 CA-C-N 117.148 0.474 . . . . 0.0 111.269 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.43 97.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 121.463 0.649 . . . . 0.0 109.412 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -126.19 177.3 6.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.776 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.488 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.3 -25.6 62.81 Favored Glycine 0 N--CA 1.469 0.85 0 CA-C-N 116.11 -0.495 . . . . 0.0 114.146 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 20' ' ' MET . 29.7 mmt180 -63.15 -31.45 72.59 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.573 -0.369 . . . . 0.0 110.786 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.98 -39.51 90.42 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.31 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -52.38 -45.22 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.391 1.076 . . . . 0.0 110.23 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.617 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 38.9 t -59.3 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -64.64 -39.28 93.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.058 0.943 . . . . 0.0 110.479 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 tpt -56.71 -55.37 34.97 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 124.995 1.318 . . . . 0.0 108.567 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -63.35 -32.38 73.79 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.292 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 15.2 mm-40 -60.9 -58.12 9.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.02 -42.41 97.13 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.002 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -57.56 -33.67 68.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 123.829 0.706 . . . . 0.0 112.239 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.31 -7.34 57.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.304 0.573 . . . . 0.0 110.923 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.82 24.14 31.02 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.102 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -96.06 152.12 18.83 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -91.07 122.42 33.7 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.33 115.73 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 t -75.6 119.86 20.23 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.45 23.02 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.2 -0.524 . . . . 0.0 113.002 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 38' ' ' LEU . 18.1 tt -102.68 148.87 7.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.15 101.55 14.27 Favored 'General case' 0 CA--C 1.483 -1.615 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -24.78 66.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.869 0.843 . . . . 0.0 112.521 -171.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -82.08 -22.98 36.04 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.61 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.28 -2.35 48.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.546 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 33' ' ' ILE . 9.5 mp -79.39 -29.72 42.17 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.536 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -87.88 76.52 8.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.681 1.229 . . . . 0.0 110.08 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 39.0 mt -74.43 -33.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.604 -171.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.46 -12.02 56.82 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.305 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.32 58.31 5.59 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 115.989 -0.55 . . . . 0.0 114.148 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -114.66 -14.83 12.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.034 0.417 . . . . 0.0 111.638 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.48 55.2 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.541 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.97 156.3 41.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.992 0.396 . . . . 0.0 110.092 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.9 t -98.76 106.75 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.362 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.0 179.37 6.39 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.245 -173.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 -21.57 71.1 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.117 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.0 mmm-85 -54.85 -45.48 74.55 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 123.264 0.626 . . . . 0.0 109.692 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -67.59 -37.58 82.79 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.957 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 55' ' ' ILE . 39.8 tp -61.78 -44.63 96.49 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.663 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.3 mtt -65.64 -33.11 75.14 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.895 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.6 mm-40 -68.14 -43.86 77.38 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.561 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.9 -47.53 85.98 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 123.646 0.779 . . . . 0.0 110.867 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.0 mt -55.33 -41.7 63.14 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 35.4 ttpt -59.61 -50.76 72.62 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 122.844 0.458 . . . . 0.0 111.357 175.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.4 mmmt -59.76 -49.58 77.17 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.876 0.846 . . . . 0.0 110.832 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 18' ' ' ILE . 86.4 t . . . . . 0 C--N 1.296 -1.74 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.271 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 tt . . . . . 0 N--CA 1.425 -1.706 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.44 117.65 4.71 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.292 0.637 . . . . 0.0 111.19 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.64 -21.89 20.42 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -114.99 88.36 2.85 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 122.602 1.191 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.87 -37.25 40.73 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.32 -173.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.44 -7.12 58.69 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.028 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 61.6 63.32 1.18 Allowed 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.479 1.133 . . . . 0.0 111.879 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -121.56 0.95 10.02 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.93 6.51 67.06 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 115.225 0.85 . . . . 0.0 115.225 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.0 142.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 117.339 0.57 . . . . 0.0 110.994 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.93 96.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.967 0.889 . . . . 0.0 110.006 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -125.67 179.21 5.26 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.992 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -65.93 -19.7 67.94 Favored Glycine 0 N--CA 1.471 0.996 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.292 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -69.67 -29.8 67.32 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -68.44 -39.66 81.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.7 mp -50.77 -43.03 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 124.352 1.033 . . . . 0.0 110.64 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.633 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -61.64 -54.65 31.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.788 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.1 mmm -57.09 -42.2 80.26 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.384 1.074 . . . . 0.0 110.36 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.67 -57.35 11.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 125.582 1.553 . . . . 0.0 109.159 177.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -63.65 -33.38 75.49 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.298 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.1 mm-40 -60.51 -55.36 34.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.049 0.452 . . . . 0.0 110.72 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.71 -43.1 90.15 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.315 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.99 -35.94 71.93 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.776 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -22.74 60.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.16 0.505 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.93 25.39 6.82 Favored Glycine 0 N--CA 1.415 -2.727 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.758 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -93.01 158.64 15.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.267 0.534 . . . . 0.0 110.111 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -94.89 109.72 21.68 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.78 119.41 41.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -76.03 126.79 31.65 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.86 31.32 49.31 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.094 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.427 ' CD1' HD13 ' A' ' 38' ' ' LEU . 17.6 tt -102.35 146.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.88 99.73 12.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 169.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -63.71 -16.45 61.12 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.212 1.005 . . . . 0.0 112.521 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -89.68 -24.07 21.69 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -8.19 57.29 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.505 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' A' ' 33' ' ' ILE . 7.6 mp -75.96 -28.21 57.82 Favored 'General case' 0 C--O 1.196 -1.721 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -86.19 77.45 9.56 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.877 1.322 . . . . 0.0 109.522 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mt -74.54 -37.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.63 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.402 ' HB3' ' HG3' ' A' ' 53' ' ' GLU . 21.9 p-10 -80.51 -7.93 59.38 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.585 -178.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.82 58.39 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.684 -0.689 . . . . 0.0 114.281 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -114.81 -13.91 11.99 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.398 0.599 . . . . 0.0 111.353 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.32 57.49 Favored Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.341 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.43 148.8 52.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.035 0.418 . . . . 0.0 110.655 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.73 105.01 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.004 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -135.84 176.87 8.29 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.261 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.84 -15.47 66.92 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 116.625 -0.262 . . . . 0.0 112.955 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 25.3 mmm180 -62.84 -43.7 98.09 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -68.51 -36.72 79.28 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.909 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 55' ' ' ILE . 29.7 tp -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.395 176.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.09 -32.57 73.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.549 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.571 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 63.7 mm-40 -67.9 -39.27 83.63 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.441 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.62 -44.05 91.78 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -59.28 -40.27 80.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.0 ttmt -56.96 -55.25 37.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.489 0.716 . . . . 0.0 110.107 173.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.2 mmmt -55.88 -53.31 58.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.213 1.005 . . . . 0.0 112.481 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.43 HG22 ' CD1' ' A' ' 18' ' ' ILE . 58.3 t . . . . . 0 C--N 1.304 -1.397 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.032 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.7 tt . . . . . 0 N--CA 1.422 -1.83 0 CA-C-O 122.187 0.994 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.455 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 52.0 mt -68.42 111.26 4.56 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.495 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.47 -18.29 9.43 Favored Glycine 0 N--CA 1.429 -1.805 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.429 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 20.6 t70 -114.52 89.22 3.04 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 122.704 1.24 . . . . 0.0 110.442 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.57 -34.91 46.63 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.12 -1.854 . . . . 0.0 112.665 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -90.49 -2.2 57.91 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.429 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 28.6 t70 59.98 63.4 1.46 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.552 1.168 . . . . 0.0 111.653 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -118.69 -1.9 11.04 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.854 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.8 -2.25 69.45 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.569 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -146.65 138.27 18.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 117.516 0.658 . . . . 0.0 112.315 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.18 96.96 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-O 122.267 1.032 . . . . 0.0 110.182 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -125.46 -177.11 3.78 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.146 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.422 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -68.28 -20.34 73.18 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.818 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.8 mmt180 -67.16 -31.12 71.33 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 122.796 0.438 . . . . 0.0 110.288 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.8 -40.26 79.67 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.182 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.422 HD12 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -51.95 -45.42 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.105 0.962 . . . . 0.0 110.225 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.667 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 37.4 t -56.8 -54.44 29.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.731 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 78.0 mmm -61.46 -39.8 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.979 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 tpt -54.17 -57.96 9.16 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 125.137 1.375 . . . . 0.0 109.471 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -64.11 -31.85 73.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.368 -1.742 . . . . 0.0 112.17 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.4 mm-40 -61.24 -59.0 5.98 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.542 0.526 . . . . 0.0 109.872 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.54 -44.53 93.95 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.962 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.0 mt -57.2 -35.49 69.7 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 124.122 0.889 . . . . 0.0 112.141 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -9.21 58.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.921 0.391 . . . . 0.0 111.615 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.2 23.03 20.94 Favored Glycine 0 N--CA 1.416 -2.682 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.593 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -99.12 147.09 25.44 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.5 m -99.58 111.33 23.69 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.96 111.42 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.762 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 -171.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -73.77 117.28 15.36 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.49 6.94 46.6 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.774 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CD1' HD13 ' A' ' 38' ' ' LEU . 16.1 tt -88.61 147.23 5.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.13 98.06 11.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HA ' HD11 ' A' ' 38' ' ' LEU . 34.8 ttmt -60.14 -25.21 65.32 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.324 0.583 . . . . 0.0 112.149 -172.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -76.62 -24.16 53.37 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.982 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.34 -3.94 57.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.657 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 33' ' ' ILE . 8.7 mp -80.72 -26.88 37.14 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.13 75.04 10.38 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.636 1.208 . . . . 0.0 109.607 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.455 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.1 mt -74.62 -35.78 38.87 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.167 -174.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -80.49 -10.03 59.75 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.239 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.93 58.68 8.57 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.086 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -115.18 -15.17 11.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.118 0.459 . . . . 0.0 112.074 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.16 0.68 54.43 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.405 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.47 153.21 51.81 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -94.46 104.07 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.177 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.38 173.95 11.15 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.077 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.84 -15.64 58.22 Favored Glycine 0 N--CA 1.474 1.196 0 CA-C-N 116.608 -0.269 . . . . 0.0 113.374 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -64.36 -37.05 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -73.41 -38.13 65.68 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 55' ' ' ILE . 35.6 tp -57.4 -46.75 83.13 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.922 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 81.8 mtp -65.45 -33.82 76.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.35 -40.09 85.8 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.29 -45.45 87.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.811 0.339 . . . . 0.0 110.393 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -58.59 -42.12 83.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.007 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 31.9 ttmt -55.05 -56.13 23.21 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.061 0.545 . . . . 0.0 110.265 173.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.5 mmmt -55.0 -55.9 25.73 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.922 0.889 . . . . 0.0 111.994 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 18' ' ' ILE . 53.2 t . . . . . 0 C--N 1.297 -1.679 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.56 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 tt . . . . . 0 N--CA 1.415 -2.198 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.07 112.99 2.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.487 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.96 -17.43 17.46 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.421 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 15.7 t0 -118.68 88.8 3.0 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.014 1.388 . . . . 0.0 110.257 177.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.12 -35.73 41.73 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 112.718 -2.037 . . . . 0.0 112.467 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -90.31 -4.01 57.4 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.324 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 61.27 63.62 1.2 Allowed 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.576 1.179 . . . . 0.0 111.538 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -115.32 -8.98 12.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.553 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.38 -1.9 58.99 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-N 115.475 -0.784 . . . . 0.0 114.59 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.6 148.68 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.368 0 CA-C-N 118.161 0.98 . . . . 0.0 112.792 -174.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.84 97.49 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.153 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -126.42 -167.54 1.73 Allowed 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.64 -0.663 . . . . 0.0 111.37 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.57 -21.8 77.76 Favored Glycine 0 C--O 1.223 -0.563 0 CA-C-N 115.879 -0.6 . . . . 0.0 114.207 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 20' ' ' MET . 22.2 mmt180 -64.96 -36.09 83.27 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 121.099 0.476 . . . . 0.0 110.013 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.421 ' OD2' ' HA ' ' A' ' 6' ' ' ASP . 15.4 m-20 -63.45 -43.74 96.53 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.741 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -50.27 -44.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.246 0.966 . . . . 0.0 110.967 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 22.3 t -62.57 -54.46 33.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.894 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.057 0.943 . . . . 0.0 110.645 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -56.27 20.88 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 125.316 1.446 . . . . 0.0 109.533 177.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -66.41 -31.24 71.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.481 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.4 mm-40 -59.43 -56.08 26.54 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.336 0.589 . . . . 0.0 109.974 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.57 -42.13 83.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -55.65 -39.85 71.44 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.906 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.37 63.32 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 122.885 0.474 . . . . 0.0 111.07 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.12 27.22 8.35 Favored Glycine 0 N--CA 1.42 -2.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.876 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -95.79 158.44 15.45 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -91.27 111.6 23.15 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.55 108.56 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -76.41 116.99 17.62 Favored 'General case' 0 C--N 1.282 -2.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.81 25.53 22.35 Favored Glycine 0 C--O 1.246 0.9 0 CA-C-N 116.033 -0.53 . . . . 0.0 113.427 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.412 ' CD1' HD13 ' A' ' 38' ' ' LEU . 16.9 tt -99.3 152.22 4.56 Favored 'Isoleucine or valine' 0 C--O 1.248 0.986 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -93.6 97.88 10.78 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 168.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HA ' HD11 ' A' ' 38' ' ' LEU . 38.2 ttmt -64.82 -15.13 61.36 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 123.639 0.776 . . . . 0.0 112.663 -170.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -85.13 -26.77 26.66 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.638 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.74 -2.72 37.64 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.846 0.459 . . . . 0.0 111.841 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 35' ' ' LYS . 7.8 mp -81.7 -23.09 37.01 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.808 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -87.06 72.53 10.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.733 1.254 . . . . 0.0 109.721 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.29 -35.08 38.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 113.439 -1.709 . . . . 0.0 111.774 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -81.11 -10.77 59.61 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.246 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.38 58.67 6.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 116.05 -0.523 . . . . 0.0 114.211 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -115.59 -12.59 11.58 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.489 0.645 . . . . 0.0 112.271 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.74 53.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.489 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.73 162.49 32.2 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.761 0.315 . . . . 0.0 110.456 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -102.06 111.74 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.263 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -135.05 178.58 6.92 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 122.457 0.303 . . . . 0.0 110.634 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.85 -15.42 66.86 Favored Glycine 0 CA--C 1.506 -0.511 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.038 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 52.9 mtm180 -69.18 -32.97 72.63 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -73.31 -37.38 66.19 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.835 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 55' ' ' ILE . 26.7 tp -58.66 -45.44 89.34 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.851 175.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 88.6 mtp -70.74 -25.21 62.82 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.658 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 39.4 mm-40 -72.2 -40.09 68.13 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 172.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.55 -45.86 88.61 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.394 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.9 mt -60.19 -40.62 84.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.831 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.271 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.3 tttt -54.96 -46.8 75.07 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.237 1.015 . . . . 0.0 110.908 173.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mmmt -64.59 -52.85 55.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.341 0.657 . . . . 0.0 111.435 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.2 t . . . . . 0 C--N 1.31 -1.11 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -176.717 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 tt . . . . . 0 N--CA 1.422 -1.826 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.8 113.08 1.88 Allowed 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.54 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.04 -17.7 17.01 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.491 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.427 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 24.5 t70 -121.81 87.37 2.74 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 122.952 1.358 . . . . 0.0 109.799 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.58 -34.08 47.16 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 112.955 -1.93 . . . . 0.0 112.439 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.39 -4.0 57.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.45 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.8 t70 57.75 64.19 1.62 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 124.472 1.108 . . . . 0.0 112.2 178.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -122.68 8.56 9.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.413 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.85 10.19 81.5 Favored Glycine 0 CA--C 1.491 -1.414 0 CA-C-N 115.512 -0.767 . . . . 0.0 114.618 171.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -154.62 138.94 9.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.135 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.5 98.76 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.476 1.131 . . . . 0.0 109.599 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -125.45 177.11 6.37 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.766 -176.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 18' ' ' ILE . . . -66.34 -19.15 68.24 Favored Glycine 0 C--O 1.225 -0.465 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.94 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.3 mmt180 -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -63.52 -42.18 98.47 Favored 'General case' 0 CA--C 1.491 -1.312 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.18 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.408 HD11 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.09 -43.28 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.175 0.99 . . . . 0.0 110.756 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.686 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.0 t -64.26 -52.14 59.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.296 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.8 mmm -57.53 -42.91 83.83 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 124.235 0.96 . . . . 0.0 110.176 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.79 -58.2 8.1 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 125.664 1.585 . . . . 0.0 108.911 177.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.93 -31.54 71.87 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.895 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.686 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 25.6 mm-40 -63.72 -54.11 40.54 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.956 0.408 . . . . 0.0 110.24 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -67.7 -40.86 84.31 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.534 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -58.82 -32.89 69.78 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.53 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.81 -10.87 59.93 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.17 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.53 20.25 32.6 Favored Glycine 0 N--CA 1.426 -1.975 0 CA-C-N 116.44 -0.345 . . . . 0.0 112.831 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -90.84 157.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -93.83 112.65 24.54 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -95.95 117.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -76.33 117.83 18.41 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.843 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.18 21.85 Favored Glycine 0 N--CA 1.436 -1.338 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.8 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 tt -101.61 143.76 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.31 95.19 10.19 Favored 'General case' 0 CA--C 1.482 -1.666 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 172.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HA ' HD13 ' A' ' 38' ' ' LEU . 14.0 tmtt? -56.12 -23.75 36.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.948 0.899 . . . . 0.0 113.269 -174.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.79 -23.66 41.98 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.301 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.71 -2.26 55.85 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.8 mp -78.72 -27.75 44.94 Favored 'General case' 0 CA--C 1.495 -1.149 0 O-C-N 123.745 0.653 . . . . 0.0 111.922 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -87.1 77.82 9.03 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 122.806 1.288 . . . . 0.0 109.793 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.6 mt -73.64 -34.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.225 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -83.43 -6.31 59.42 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.105 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.51 58.25 13.12 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.647 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -110.49 -15.21 13.96 Favored 'General case' 0 C--N 1.309 -1.153 0 O-C-N 122.363 -0.492 . . . . 0.0 111.196 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.01 4.34 48.07 Favored Glycine 0 N--CA 1.44 -1.096 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.848 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.77 147.93 32.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.464 0.632 . . . . 0.0 111.126 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.45 104.34 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.678 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -136.63 177.53 7.78 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.025 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -20.33 66.69 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.153 -0.476 . . . . 0.0 113.127 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -59.12 -41.38 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -69.69 -39.32 77.02 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.994 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' O ' HG13 ' A' ' 55' ' ' ILE . 31.3 tp -59.38 -45.49 91.3 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 124.173 0.921 . . . . 0.0 109.468 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.69 -33.54 75.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.628 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 25.7 mm-40 -67.86 -37.99 82.55 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.74 -43.92 87.51 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.583 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -59.16 -44.17 91.16 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.784 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.0 tttt -53.21 -43.53 67.29 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 124.8 1.24 . . . . 0.0 111.632 173.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -68.16 -49.23 62.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.404 HG21 ' CD1' ' A' ' 18' ' ' ILE . 44.6 t . . . . . 0 C--N 1.312 -1.044 0 CA-C-O 122.156 0.979 . . . . 0.0 112.687 -174.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 tt . . . . . 0 N--CA 1.428 -1.534 0 CA-C-O 122.041 0.924 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.511 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 51.3 mt -64.73 112.72 3.35 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.718 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.0 -15.94 12.18 Favored Glycine 0 N--CA 1.426 -1.974 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.564 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 24.5 t70 -117.27 86.49 2.52 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 122.734 1.254 . . . . 0.0 109.671 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.44 -33.0 48.8 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.002 -1.908 . . . . 0.0 112.903 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -92.06 3.15 55.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.208 0.527 . . . . 0.0 110.499 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.564 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.411 5.1 p-10 47.34 57.57 5.7 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 126.811 2.044 . . . . 0.0 114.616 179.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -110.37 0.59 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.198 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.17 59.0 Favored Glycine 0 CA--C 1.502 -0.733 0 N-CA-C 115.192 0.837 . . . . 0.0 115.192 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.33 138.82 6.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 117.947 0.873 . . . . 0.0 111.414 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.1 98.41 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-O 122.673 1.225 . . . . 0.0 110.377 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -125.16 177.4 6.13 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 114.626 -1.17 . . . . 0.0 113.198 -175.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -64.03 -24.81 68.93 Favored Glycine 0 N--CA 1.467 0.752 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.529 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.0 mmt180 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.787 0.835 . . . . 0.0 110.353 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -66.81 -40.93 88.22 Favored 'General case' 0 CA--C 1.488 -1.441 0 C-N-CA 122.804 0.442 . . . . 0.0 110.142 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.6 mp -50.2 -47.42 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 124.354 1.034 . . . . 0.0 110.144 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.675 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 14.2 t -59.15 -54.71 30.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.677 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.8 mmm -57.1 -41.86 79.68 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.262 0.976 . . . . 0.0 110.771 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.5 tpt -56.02 -56.87 15.5 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.227 1.411 . . . . 0.0 109.41 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 69.0 mtp180 -68.54 -23.22 64.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 113.973 -1.467 . . . . 0.0 112.012 -173.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.675 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.2 mm-40 -67.53 -57.27 6.79 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.33 -41.2 98.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 21' ' ' MET . 89.3 mt -56.99 -36.91 70.91 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.475 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 -14.25 58.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.435 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.21 19.69 22.8 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 116.268 -0.424 . . . . 0.0 113.17 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.39 151.74 19.57 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 122.353 -0.498 . . . . 0.0 109.716 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.5 m -82.55 126.36 32.19 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 174.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.02 114.49 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.084 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -75.77 122.02 23.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.153 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.2 34.38 14.73 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.397 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CD1' HD12 ' A' ' 38' ' ' LEU . 15.0 tt -107.99 144.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-O 121.028 0.442 . . . . 0.0 110.355 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -92.5 96.86 10.47 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -60.16 -19.6 54.65 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.938 0.773 . . . . 0.0 112.458 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -84.69 -21.76 30.04 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.252 0.621 . . . . 0.0 110.314 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.65 0.7 51.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.74 0.305 . . . . 0.0 111.641 -174.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.411 HD12 ' CD1' ' A' ' 33' ' ' ILE . 9.1 mp -80.8 -26.06 37.42 Favored 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.739 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.53 78.03 9.28 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.675 1.226 . . . . 0.0 109.351 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.511 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 47.4 mt -74.11 -37.44 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.545 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.16 -11.71 59.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.186 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 58.87 5.56 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.523 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -112.95 -9.51 13.61 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.352 0.576 . . . . 0.0 110.762 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.3 -10.79 54.59 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.517 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.16 162.24 32.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.556 0.678 . . . . 0.0 111.671 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -97.97 105.94 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 49' ' ' ARG . 8.7 p30 -136.14 -178.31 5.09 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.629 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.78 -17.38 73.15 Favored Glycine 0 C--O 1.216 -0.98 0 CA-C-N 116.505 -0.316 . . . . 0.0 112.752 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 27.3 mmt180 -58.88 -41.83 88.03 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -69.18 -39.21 78.85 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.93 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 55' ' ' ILE . 39.0 tp -61.09 -43.51 98.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.923 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.1 mtt -64.92 -37.81 88.89 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.774 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 60.8 mm-40 -66.41 -40.44 89.59 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 175.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.56 -45.57 93.6 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.835 0.454 . . . . 0.0 110.207 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -57.08 -44.72 83.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.499 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 34.2 ttmt -54.24 -50.92 66.06 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.513 0.725 . . . . 0.0 111.028 174.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.7 mmmt -63.36 -55.49 24.08 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.097 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 18' ' ' ILE . 61.7 t . . . . . 0 N--CA 1.432 -1.356 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.648 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 tt . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.3 mt -60.9 112.64 2.13 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.437 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.68 -21.72 11.26 Favored Glycine 0 N--CA 1.42 -2.368 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.519 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.476 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 20.7 t70 -113.66 89.44 3.09 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 122.88 1.324 . . . . 0.0 109.694 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.85 -36.54 42.19 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.857 -1.974 . . . . 0.0 112.263 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.98 -7.03 56.77 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.031 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.476 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.2 t70 65.09 64.27 0.64 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.307 1.051 . . . . 0.0 111.658 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -120.77 -1.15 10.02 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.31 1.03 69.7 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.734 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -150.46 143.71 17.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 117.894 0.847 . . . . 0.0 112.097 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 m -70.48 96.72 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-O 121.97 0.89 . . . . 0.0 109.774 171.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -125.67 177.97 5.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.262 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.45 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -62.39 -22.39 63.36 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.521 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.0 mmt180 -63.89 -34.47 78.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.038 0.535 . . . . 0.0 110.928 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.99 -38.57 82.83 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.129 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.45 HD12 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.46 -43.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 124.157 0.911 . . . . 0.0 110.487 174.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.59 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 17.8 t -61.36 -53.06 53.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.321 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 77.3 mmm -58.68 -42.16 87.88 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.833 0.853 . . . . 0.0 110.471 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.405 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.1 tpt -55.25 -57.93 9.79 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.64 -32.91 73.09 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.852 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.4 mm-40 -62.07 -58.55 7.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.242 0.544 . . . . 0.0 110.514 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.98 -43.62 92.02 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.879 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 21' ' ' MET . 90.8 mt -55.91 -33.94 65.12 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.601 0.76 . . . . 0.0 112.144 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.24 -14.32 59.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.06 10.92 29.12 Favored Glycine 0 N--CA 1.418 -2.555 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.1 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -88.99 149.69 23.15 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -92.12 111.47 23.04 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.56 121.94 40.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 t -75.87 127.96 34.11 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 34.59 25.42 Favored Glycine 0 N--CA 1.432 -1.577 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.618 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 38' ' ' LEU . 16.4 tt -108.58 143.57 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.63 98.04 11.54 Favored 'General case' 0 CA--C 1.485 -1.555 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -54.62 -31.48 57.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.831 0.852 . . . . 0.0 112.336 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -79.69 -17.93 52.48 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.208 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.61 59.05 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.521 0.2 . . . . 0.0 111.031 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 33' ' ' ILE . 9.2 mp -77.09 -26.92 53.93 Favored 'General case' 0 CA--C 1.483 -1.606 0 O-C-N 123.994 0.808 . . . . 0.0 111.303 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.36 76.1 8.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.922 1.344 . . . . 0.0 109.029 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.15 -33.9 36.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-N 112.625 -2.08 . . . . 0.0 111.97 -172.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -82.96 -10.52 58.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.106 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.06 58.5 7.35 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.939 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -114.84 -11.54 12.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.534 0.667 . . . . 0.0 111.522 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.49 -3.48 57.85 Favored Glycine 0 N--CA 1.438 -1.202 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.387 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.92 150.51 52.04 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 122.296 -0.532 . . . . 0.0 110.383 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -93.35 101.42 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.857 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -135.92 177.78 7.56 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.535 -172.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.91 -17.2 67.24 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.628 -0.26 . . . . 0.0 113.067 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.83 -40.43 95.27 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -70.03 -38.67 75.94 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.854 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 55' ' ' ILE . 39.3 tp -59.18 -45.69 90.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.641 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.52 -28.08 68.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.079 0.466 . . . . 0.0 111.521 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 27.0 mm-40 -71.72 -45.44 61.79 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.208 174.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.32 -47.25 84.32 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 124.121 0.888 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 51' ' ' LEU . 75.6 mt -56.78 -41.38 75.2 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.531 0 O-C-N 123.819 0.699 . . . . 0.0 109.349 176.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -59.71 -43.97 93.91 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.7 -49.58 61.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.443 0.697 . . . . 0.0 110.687 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.435 HG22 ' CD1' ' A' ' 18' ' ' ILE . 61.9 t . . . . . 0 C--N 1.307 -1.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.061 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.0 tt . . . . . 0 N--CA 1.433 -1.319 0 CA-C-O 121.54 0.686 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 70.6 mt -62.57 114.12 3.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.84 -23.88 9.84 Favored Glycine 0 N--CA 1.427 -1.925 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.411 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -111.49 88.3 2.76 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 122.695 1.236 . . . . 0.0 109.917 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.61 -37.69 41.76 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 113.208 -1.814 . . . . 0.0 112.2 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -85.26 -6.61 59.25 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.625 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.9 t70 60.76 63.39 1.32 Allowed 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.676 1.19 . . . . 0.0 111.736 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -118.63 -2.3 11.0 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.751 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.75 1.9 63.32 Favored Glycine 0 CA--C 1.505 -0.562 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.161 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.0 137.66 19.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 117.074 0.437 . . . . 0.0 111.141 -173.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 57' ' ' LYS . 11.5 m -78.14 96.59 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 121.963 0.887 . . . . 0.0 109.026 175.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -125.86 176.51 6.91 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.58 -172.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.474 ' HA2' HD11 ' A' ' 18' ' ' ILE . . . -61.16 -23.11 61.53 Favored Glycine 0 N--CA 1.478 1.434 0 CA-C-N 116.006 -0.543 . . . . 0.0 113.458 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.8 mmt180 -65.49 -31.81 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.746 0.418 . . . . 0.0 110.472 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -67.67 -37.73 82.78 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.317 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.474 HD11 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -54.0 -43.9 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.801 0.84 . . . . 0.0 110.376 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 15.0 t -59.46 -49.66 82.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.907 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.2 mmm -63.48 -40.72 97.86 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.055 0.847 . . . . 0.0 110.131 -177.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 tpt -54.05 -56.19 20.36 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.545 1.538 . . . . 0.0 108.641 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.79 -30.47 70.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.159 -1.382 . . . . 0.0 113.386 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.5 mm-40 -65.76 -54.8 22.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.962 0.411 . . . . 0.0 110.903 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -65.51 -41.32 93.29 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.019 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.95 -30.06 63.71 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.281 0.988 . . . . 0.0 111.732 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.65 -4.53 59.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.454 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.58 57.2 Favored Glycine 0 N--CA 1.427 -1.901 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.219 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -88.38 151.24 22.72 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 m -92.12 107.74 19.43 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -85.99 113.18 23.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 t -76.36 117.46 18.05 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.36 26.81 17.06 Favored Glycine 0 C--O 1.246 0.875 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.754 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.4 tt -107.54 149.43 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.289 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.29 100.19 12.82 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -61.79 -26.5 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -170.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -85.24 -11.14 55.54 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.957 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.21 -4.83 58.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.73 0.3 . . . . 0.0 111.115 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mp -82.01 -29.48 32.01 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.446 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.27 76.34 9.18 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 122.752 1.263 . . . . 0.0 109.346 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 43.8 mt -74.03 -33.3 35.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.893 -171.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.48 -11.35 54.49 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.077 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.2 59.05 7.79 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.883 -0.599 . . . . 0.0 113.764 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 p30 -114.36 -11.83 12.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 117.442 0.621 . . . . 0.0 111.345 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.24 -3.68 51.29 Favored Glycine 0 N--CA 1.433 -1.541 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.429 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.55 151.92 49.92 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 122.252 -0.558 . . . . 0.0 110.276 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.4 t -93.26 106.4 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.097 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -136.17 178.94 6.67 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.874 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -66.35 -18.74 67.81 Favored Glycine 0 C--O 1.221 -0.717 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.538 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -60.74 -37.44 81.79 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.77 -38.06 67.43 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.323 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 55' ' ' ILE . 43.1 tp -59.83 -43.36 94.62 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 123.973 0.795 . . . . 0.0 109.511 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 66.3 mtt -62.51 -40.58 97.2 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.734 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 44.4 mm-40 -65.34 -40.38 93.59 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.258 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.74 -46.62 88.85 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -55.6 -45.57 78.88 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.041 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.1 ttmt -53.78 -49.84 67.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.073 0.949 . . . . 0.0 111.254 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.1 mmmt -63.31 -55.53 23.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.696 0.799 . . . . 0.0 111.377 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 18' ' ' ILE . 89.6 t . . . . . 0 C--N 1.305 -1.333 0 C-N-CA 124.322 1.049 . . . . 0.0 112.28 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.431 -1.389 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.21 111.89 1.51 Allowed 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.137 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.28 -22.7 8.84 Favored Glycine 0 N--CA 1.428 -1.893 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.413 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 22.8 t70 -114.9 87.77 2.72 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.032 1.396 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.95 -37.07 40.55 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.099 -173.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -87.13 -4.42 59.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.692 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.413 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 33.2 t70 63.71 63.15 0.87 Allowed 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.579 1.18 . . . . 0.0 111.578 177.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -122.59 -1.68 9.0 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.223 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.39 -1.59 73.0 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.384 -0.825 . . . . 0.0 115.042 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -146.82 144.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 117.678 0.739 . . . . 0.0 111.686 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -74.39 98.71 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-O 122.121 0.962 . . . . 0.0 110.584 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -125.99 174.38 8.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.773 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.484 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.77 -23.36 60.99 Favored Glycine 0 N--CA 1.471 0.998 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.52 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.4 mmt180 -63.86 -32.94 74.62 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.052 0.541 . . . . 0.0 110.264 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -68.31 -39.39 82.02 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.7 mp -51.44 -43.87 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.301 1.001 . . . . 0.0 110.786 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.647 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 5.5 t -62.96 -50.74 78.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.381 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -58.89 -42.05 88.64 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.943 0.897 . . . . 0.0 110.362 -178.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.423 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -54.47 -57.48 11.16 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 125.545 1.538 . . . . 0.0 108.755 177.045 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -61.48 -36.13 79.61 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.866 -1.515 . . . . 0.0 112.627 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.1 mm-40 -58.98 -56.73 18.49 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.128 0.489 . . . . 0.0 110.305 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.84 -42.42 94.94 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.57 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.28 -39.4 72.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.629 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.41 -25.11 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.936 0.398 . . . . 0.0 111.007 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.28 15.19 8.49 Favored Glycine 0 N--CA 1.426 -1.972 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.781 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -89.63 151.92 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.12 0.486 . . . . 0.0 110.375 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -92.13 108.91 20.29 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -95.24 111.39 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.48 117.11 17.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.5 6.94 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.42 ' CD1' HD13 ' A' ' 38' ' ' LEU . 16.6 tt -111.46 149.61 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -93.91 101.94 14.03 Favored 'General case' 0 CA--C 1.475 -1.938 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 168.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' HD11 ' A' ' 38' ' ' LEU . 35.4 ttpt -64.35 -15.58 60.63 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 123.789 0.68 . . . . 0.0 112.74 -172.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -89.16 -23.57 22.41 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.47 -7.07 57.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.306 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 33' ' ' ILE . 8.0 mp -76.34 -29.62 57.33 Favored 'General case' 0 C--O 1.19 -2.066 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.52 76.26 9.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.732 1.253 . . . . 0.0 109.682 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.4 mt -74.39 -35.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.038 -173.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -81.16 -11.76 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.226 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.52 59.09 5.92 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.55 -0.75 . . . . 0.0 114.11 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.24 -10.84 12.68 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.726 0.763 . . . . 0.0 111.343 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.39 -10.41 56.41 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.034 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.12 156.41 44.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.109 0.481 . . . . 0.0 111.062 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -94.37 105.47 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.206 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -136.04 176.9 8.27 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.907 -174.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.11 -15.55 67.61 Favored Glycine 0 C--O 1.222 -0.608 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.733 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -64.66 -41.46 96.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -68.72 -37.76 79.7 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.366 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 55' ' ' ILE . 35.1 tp -58.99 -45.84 89.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.087 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.47 -36.02 82.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -66.64 -40.2 88.61 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 123.516 0.51 . . . . 0.0 110.789 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.12 -45.24 92.93 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 122.422 0.289 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 51' ' ' LEU . 90.3 mt -57.64 -44.57 85.69 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -55.06 -44.54 74.83 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.46 1.104 . . . . 0.0 111.679 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmmt -66.58 -55.63 14.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.257 0.551 . . . . 0.0 111.08 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.412 HG22 ' CD1' ' A' ' 18' ' ' ILE . 58.8 t . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.651 -175.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.7 tt . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 121.369 0.604 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.13 119.81 8.56 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.921 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.62 -17.77 25.38 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -116.41 85.48 2.31 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 122.989 1.376 . . . . 0.0 110.104 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.78 -36.18 43.31 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 112.749 -2.023 . . . . 0.0 112.252 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -85.93 -1.85 57.7 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.835 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 58.72 62.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.723 1.264 . . . . 0.0 111.109 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -122.9 2.6 9.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.484 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.58 3.97 68.37 Favored Glycine 0 CA--C 1.508 -0.379 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -152.08 143.84 15.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 117.64 0.72 . . . . 0.0 111.601 -176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.61 101.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-O 122.414 1.102 . . . . 0.0 110.327 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -125.34 176.64 6.64 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.443 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.483 ' HA2' HD11 ' A' ' 18' ' ' ILE . . . -67.48 -22.07 72.93 Favored Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.887 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.5 mmt180 -62.38 -31.22 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 110.213 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.92 -40.26 75.67 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 mp -53.35 -43.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.191 0.996 . . . . 0.0 110.173 175.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.626 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -56.91 -53.63 40.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.549 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.2 mmm -59.32 -42.34 91.19 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.672 1.189 . . . . 0.0 110.426 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.452 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -53.24 -56.01 19.93 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 125.231 1.412 . . . . 0.0 109.365 177.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 81.8 mtp180 -67.45 -30.7 70.49 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.223 -1.353 . . . . 0.0 112.299 -174.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -61.52 -53.89 50.43 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.938 0.399 . . . . 0.0 110.056 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.86 -41.29 95.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.542 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 21' ' ' MET . 96.9 mt -57.13 -39.25 74.8 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.218 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.84 -22.75 60.74 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.141 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.14 22.89 7.98 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.501 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -95.51 156.32 16.37 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -87.44 115.61 24.98 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -91.07 117.83 35.1 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -75.29 120.35 20.65 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.761 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.05 46.19 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.737 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 38' ' ' LEU . 15.3 tt -100.13 145.68 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.33 100.42 13.01 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' HA ' HD11 ' A' ' 38' ' ' LEU . 34.1 ttmt -62.17 -16.76 55.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.33 0.652 . . . . 0.0 112.43 -172.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -84.76 -25.65 28.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.12 -5.44 57.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.116 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 33' ' ' ILE . 8.3 mp -75.44 -31.17 60.23 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 124.03 0.831 . . . . 0.0 110.889 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.07 76.29 10.26 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 122.593 1.187 . . . . 0.0 110.261 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt -74.39 -35.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 113.572 -1.649 . . . . 0.0 112.172 -174.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -79.19 -11.36 59.96 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.873 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.44 58.17 8.22 Favored Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.327 -0.851 . . . . 0.0 115.121 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.03 -17.97 11.34 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 117.887 0.843 . . . . 0.0 110.022 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.35 -11.54 54.66 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.833 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.36 34.64 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 117.377 0.588 . . . . 0.0 109.584 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 107.89 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.122 0 CA-C-O 121.894 0.854 . . . . 0.0 108.723 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -135.5 172.78 12.52 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.488 -172.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.57 -17.66 64.84 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.802 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -62.8 -39.23 93.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -68.88 -40.43 79.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.219 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 55' ' ' ILE . 37.1 tp -58.28 -45.69 87.42 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.908 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.9 -33.77 76.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.598 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 50.5 mm-40 -66.83 -40.28 87.92 Favored 'General case' 0 C--O 1.205 -1.238 0 O-C-N 123.245 0.341 . . . . 0.0 110.327 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.146 0.579 . . . . 0.0 110.911 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 51' ' ' LEU . 93.5 mt -59.19 -40.17 80.44 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.299 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.118 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.9 tttt -61.32 -42.58 98.91 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.005 1.322 . . . . 0.0 111.274 175.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.3 mmmt -62.86 -50.96 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 110.448 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.317 -0.834 0 CA-C-O 122.151 0.977 . . . . 0.0 110.789 -179.041 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.437 -1.093 0 CA-C-O 121.109 0.481 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.4 mt -63.09 112.53 2.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.183 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.6 -24.11 7.71 Favored Glycine 0 N--CA 1.417 -2.598 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.405 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 3.1 t70 -113.27 93.14 4.27 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-O 122.435 1.112 . . . . 0.0 109.91 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 7.9 mp -78.68 -31.7 46.78 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 113.68 -1.6 . . . . 0.0 112.795 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -92.75 -5.7 50.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.448 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 57.28 62.52 2.16 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 123.084 1.421 . . . . 0.0 111.637 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -111.23 -15.36 13.66 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.354 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.04 10.97 55.7 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 115.059 0.784 . . . . 0.0 115.059 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -156.54 124.83 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.509 0 CA-C-O 121.436 0.636 . . . . 0.0 110.893 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.24 97.32 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 CA-C-O 121.373 0.606 . . . . 0.0 111.71 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -126.16 -168.04 1.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.744 -0.598 . . . . 0.0 110.826 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.73 -24.53 72.76 Favored Glycine 0 C--O 1.224 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 114.289 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 20' ' ' MET . 39.0 mmt180 -63.41 -32.69 74.19 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-O 120.825 0.345 . . . . 0.0 111.046 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 6' ' ' ASP . 14.9 m-20 -67.08 -43.12 83.38 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.248 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 58' ' ' VAL . 1.7 mp -52.13 -43.94 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.434 1.093 . . . . 0.0 110.707 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.0 t -60.73 -55.21 26.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.789 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.608 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 68.6 mmm -58.03 -40.42 80.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.946 0.898 . . . . 0.0 110.402 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.414 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.3 tpt -54.33 -56.84 14.48 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 109.089 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -67.47 -28.13 67.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.878 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 26.8 mm-40 -64.5 -52.54 57.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.27 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -65.63 -41.75 92.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.819 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 21' ' ' MET . 94.2 mt -60.57 -25.02 65.88 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.238 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.59 -9.06 53.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.145 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 24.46 35.22 Favored Glycine 0 N--CA 1.435 -1.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.285 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.03 153.54 18.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -84.68 115.29 22.59 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.99 117.68 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 t -75.84 126.5 31.12 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.112 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.17 34.08 64.66 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.89 -0.596 . . . . 0.0 113.244 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.9 tt -98.93 149.52 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.843 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -96.55 97.79 9.68 Favored 'General case' 0 N--CA 1.418 -2.049 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -58.39 -21.71 51.34 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 124.326 1.051 . . . . 0.0 112.226 -173.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.74 -21.01 28.45 Favored 'General case' 0 N--CA 1.437 -1.099 0 O-C-N 122.181 -0.324 . . . . 0.0 110.505 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.74 -3.91 58.2 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 120.875 0.369 . . . . 0.0 111.433 -174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 7' ' ' LEU . 9.0 mp -77.6 -31.72 53.17 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.834 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -83.93 77.84 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.788 1.28 . . . . 0.0 110.375 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 46.1 mt -74.66 -36.12 39.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 112.972 -1.922 . . . . 0.0 111.824 -174.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -81.43 -8.7 59.77 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.479 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.77 7.59 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.935 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -114.49 -13.29 12.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.566 0.683 . . . . 0.0 111.048 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.09 -10.74 57.03 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 116.031 -0.532 . . . . 0.0 113.001 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 155.92 39.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -98.28 105.22 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.952 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.13 178.84 6.74 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.122 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.97 69.53 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 116.65 -0.25 . . . . 0.0 112.841 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.64 -40.99 89.47 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.548 0.739 . . . . 0.0 109.07 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -71.18 -39.13 72.03 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.7 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 55' ' ' ILE . 41.1 tp -59.22 -42.98 92.26 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.806 0.692 . . . . 0.0 109.992 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.3 mtt -65.54 -36.47 83.91 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.313 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 22.6 mm-40 -69.14 -35.6 76.55 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.12 -46.66 76.77 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -57.44 -41.64 79.07 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.9 tttt -54.35 -52.7 60.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.318 1.047 . . . . 0.0 111.137 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.4 mmmt -60.95 -54.74 41.34 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.377 0.608 . . . . 0.0 111.308 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 18' ' ' ILE . 88.5 t . . . . . 0 C--N 1.309 -1.154 0 C-N-CA 124.114 0.965 . . . . 0.0 113.221 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 tt . . . . . 0 N--CA 1.426 -1.658 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.19 112.96 1.91 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.663 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.03 -21.55 12.11 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.721 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.421 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 19.8 t70 -115.76 89.69 3.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 122.725 1.25 . . . . 0.0 109.157 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.68 -37.06 42.67 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 113.064 -1.88 . . . . 0.0 112.015 -172.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -88.71 -3.34 58.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.586 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 30.7 t70 60.13 64.3 1.27 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 124.398 1.061 . . . . 0.0 111.534 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -120.26 -0.18 10.5 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 4.56 66.01 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 114.544 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 p -153.2 141.06 13.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 117.407 0.603 . . . . 0.0 111.816 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.33 99.98 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-O 121.642 0.734 . . . . 0.0 109.284 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -125.82 179.6 5.11 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.168 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 18' ' ' ILE . . . -65.1 -22.97 69.36 Favored Glycine 0 CA--C 1.523 0.551 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.102 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.3 mmt180 -63.32 -32.08 73.4 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.146 0.578 . . . . 0.0 110.014 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -66.84 -39.87 87.78 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.607 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.441 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.6 mp -52.55 -43.13 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.331 1.052 . . . . 0.0 110.293 175.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.4 t -59.63 -54.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.708 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.4 mmm -60.58 -40.65 92.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.121 0.968 . . . . 0.0 110.597 -176.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 tpt -54.8 -56.52 18.46 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 125.208 1.403 . . . . 0.0 108.997 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.64 -29.0 70.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.029 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 82.0 mm-40 -64.77 -57.36 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.03 -40.44 96.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.229 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.92 -29.22 68.22 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.822 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.32 -3.65 58.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.08 23.88 50.4 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.813 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -90.18 156.61 18.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.1 m -90.69 113.36 25.42 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 t -100.86 115.9 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.148 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -173.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -75.27 128.7 36.02 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.67 32.5 41.21 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.805 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.416 ' CD1' HD11 ' A' ' 38' ' ' LEU . 15.3 tt -105.61 143.76 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.415 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -91.58 98.49 11.69 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 169.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.94 -17.01 55.39 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 123.883 0.873 . . . . 0.0 112.385 -172.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.34 -25.7 22.61 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.89 -5.61 46.87 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.101 0.56 . . . . 0.0 111.717 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 33' ' ' ILE . 8.5 mp -78.85 -20.0 50.64 Favored 'General case' 0 CA--C 1.478 -1.814 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -92.0 74.38 5.57 Favored 'General case' 0 N--CA 1.417 -2.119 0 CA-C-O 122.725 1.25 . . . . 0.0 109.641 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mt -74.25 -34.3 36.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 CA-C-N 112.996 -1.911 . . . . 0.0 111.255 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -81.26 -8.91 59.83 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.65 54.99 32.49 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-N 115.532 -0.758 . . . . 0.0 113.849 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -114.72 -19.43 11.06 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.149 0.474 . . . . 0.0 111.613 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.77 5.37 47.9 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 120.637 -0.792 . . . . 0.0 114.05 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.81 132.72 21.31 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 117.388 0.594 . . . . 0.0 109.771 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.59 109.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -135.86 -179.48 5.68 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.991 -174.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.91 -14.84 61.63 Favored Glycine 0 C--O 1.225 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.637 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.1 mtm180 -71.15 -32.19 68.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.98 -37.99 64.29 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 55' ' ' ILE . 33.8 tp -58.33 -44.96 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.207 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.51 -39.04 86.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.021 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 38.2 mm-40 -64.25 -43.73 93.98 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.084 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.04 -47.08 88.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.038 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 51' ' ' LEU . 84.3 mt -56.63 -41.3 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 20.0 ttmm -58.98 -50.1 75.38 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.27 0.628 . . . . 0.0 111.372 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -61.18 -52.55 64.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.646 0.736 . . . . 0.0 110.261 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.441 HG21 ' CD1' ' A' ' 18' ' ' ILE . 63.6 t . . . . . 0 C--N 1.3 -1.584 0 CA-C-N 114.811 -1.086 . . . . 0.0 113.436 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tt . . . . . 0 N--CA 1.433 -1.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.9 mt -64.94 124.06 21.05 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.457 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.66 -16.12 37.42 Favored Glycine 0 N--CA 1.431 -1.663 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 25.0 t70 -117.88 87.1 2.65 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 122.794 1.283 . . . . 0.0 110.321 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.82 -34.04 45.61 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 112.976 -1.92 . . . . 0.0 113.075 -172.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.59 9.83 40.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.729 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.453 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.297 4.0 p-10 47.52 60.6 3.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 126.327 1.851 . . . . 0.0 113.515 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -117.72 6.26 12.36 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.373 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.3 78.39 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 115.517 0.967 . . . . 0.0 115.517 170.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.31 150.28 10.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 117.561 0.68 . . . . 0.0 110.755 -175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -78.98 99.35 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 122.118 0.961 . . . . 0.0 110.157 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -125.65 177.65 6.12 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.581 -177.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -62.58 -23.7 65.27 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-O 121.188 0.327 . . . . 0.0 113.223 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.515 ' O ' ' HG2' ' A' ' 20' ' ' MET . 26.7 mmt180 -63.12 -31.91 73.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 123.543 0.737 . . . . 0.0 111.537 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -68.39 -39.14 81.8 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -53.07 -43.74 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 110.267 175.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -59.66 -55.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.299 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -57.9 -41.65 83.07 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 124.177 0.923 . . . . 0.0 110.552 -177.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -57.45 11.71 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.34 1.456 . . . . 0.0 109.267 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.47 -35.48 74.17 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.718 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 10.3 mm-40 -60.63 -58.43 8.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.827 0.704 . . . . 0.0 110.428 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.06 -41.14 95.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.011 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.03 -33.31 67.06 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.297 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.33 -14.55 55.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.61 15.97 25.63 Favored Glycine 0 N--CA 1.431 -1.645 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.958 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -88.6 149.79 23.38 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.132 0.491 . . . . 0.0 109.838 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 m -88.63 106.84 18.58 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.87 110.65 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -174.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 121.37 22.27 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 34.24 18.34 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.424 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.9 tt -106.74 146.83 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.02 96.51 10.4 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 38' ' ' LEU . 23.0 ttpp -61.6 -21.02 63.98 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.711 0.632 . . . . 0.0 112.452 -170.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -77.31 -29.45 53.64 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.123 0.569 . . . . 0.0 109.921 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.34 -4.51 48.43 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 35' ' ' LYS . 8.1 mp -79.27 -25.95 42.42 Favored 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.59 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -87.22 77.08 9.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 122.879 1.323 . . . . 0.0 109.519 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.0 mt -73.93 -36.45 45.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 112.974 -1.921 . . . . 0.0 111.994 -172.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.64 -10.12 59.49 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.332 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.4 59.03 6.01 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.815 -0.63 . . . . 0.0 114.403 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -114.74 -12.71 12.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.467 0.634 . . . . 0.0 111.555 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 -9.71 55.11 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.416 -0.421 . . . . 0.0 113.424 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.5 152.15 50.97 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.027 0.441 . . . . 0.0 110.666 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.03 106.7 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.254 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -135.5 174.72 10.3 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.685 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.58 -15.89 64.69 Favored Glycine 0 C--O 1.221 -0.675 0 C-N-CA 121.618 -0.325 . . . . 0.0 113.33 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -63.49 -39.8 95.4 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -67.67 -39.16 84.52 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.543 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 55' ' ' ILE . 31.1 tp -59.76 -45.64 91.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.932 176.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.0 mtt -67.6 -27.76 67.18 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.554 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -69.02 -48.1 63.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.44 -47.64 81.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.041 0.936 . . . . 0.0 112.013 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 51' ' ' LEU . 57.2 mt -54.83 -45.39 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 32.4 ttpt -57.21 -50.54 72.54 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.47 0.481 . . . . 0.0 111.199 175.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -57.69 -55.78 30.38 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 123.899 0.749 . . . . 0.0 109.849 -177.441 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--N 1.305 -1.349 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.258 -174.496 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 tt . . . . . 0 N--CA 1.419 -2.021 0 CA-C-O 122.188 0.995 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 55.6 mt -66.32 110.67 3.15 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.575 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.13 -15.86 10.88 Favored Glycine 0 N--CA 1.425 -2.039 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.499 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 16.5 t70 -117.07 86.67 2.55 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 123.023 1.392 . . . . 0.0 109.958 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.54 -33.74 47.63 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 112.754 -2.021 . . . . 0.0 112.513 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.37 8.27 41.13 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.499 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.358 6.5 p-10 45.59 62.07 2.35 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.625 1.97 . . . . 0.0 114.156 177.522 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -111.69 -4.81 14.58 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.075 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.25 3.79 58.68 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.523 -0.762 . . . . 0.0 114.304 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -151.17 144.88 16.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 117.536 0.668 . . . . 0.0 111.183 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -75.81 100.08 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -126.74 177.7 6.39 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.83 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.445 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -63.62 -23.17 66.75 Favored Glycine 0 N--CA 1.471 0.983 0 CA-C-N 116.393 -0.367 . . . . 0.0 113.698 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.8 mmt180 -65.18 -30.41 71.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.444 0.298 . . . . 0.0 110.509 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.88 -39.06 83.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.445 HD12 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.45 -45.3 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 110.376 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.64 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 16.8 t -60.06 -52.17 64.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.59 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.3 mmm -60.4 -40.56 91.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.816 0.846 . . . . 0.0 110.415 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.37 -56.59 19.28 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 125.071 1.348 . . . . 0.0 108.638 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.52 -32.27 72.31 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.37 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.8 mm-40 -62.89 -55.57 24.91 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 178.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.41 -40.95 94.03 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 -177.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.72 -27.68 65.11 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.674 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.79 -4.2 59.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.08 0.467 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.25 17.61 62.3 Favored Glycine 0 N--CA 1.432 -1.58 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.914 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -85.4 150.85 24.44 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.2 m -86.31 107.61 18.05 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.03 112.9 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -173.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -76.86 116.97 18.01 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.141 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.94 34.13 7.42 Favored Glycine 0 N--CA 1.431 -1.661 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.568 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.442 ' CD1' HD12 ' A' ' 38' ' ' LEU . 16.4 tt -110.98 145.48 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -90.73 99.23 12.3 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.446 -2.428 . . . . 0.0 104.446 172.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -58.9 -25.71 63.64 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.641 0.776 . . . . 0.0 111.804 -171.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -75.96 -29.67 58.35 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.104 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -4.08 43.4 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -172.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 33' ' ' ILE . 8.6 mp -79.65 -27.24 40.89 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.329 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.04 77.89 7.55 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 122.443 1.116 . . . . 0.0 108.709 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.498 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.9 mt -74.06 -35.67 42.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 113.112 -1.858 . . . . 0.0 112.33 -171.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -84.92 -8.65 58.67 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.61 57.66 8.74 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.607 -0.724 . . . . 0.0 114.25 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -115.28 -7.89 12.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 117.948 0.874 . . . . 0.0 112.115 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.33 60.78 Favored Glycine 0 N--CA 1.44 -1.042 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.252 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.72 148.14 52.33 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.07 103.19 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -134.89 177.56 7.71 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.947 -172.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.78 -18.76 62.22 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.2 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.544 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.1 mtt180 -63.52 -38.26 90.46 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -72.01 -36.3 69.67 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.367 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 55' ' ' ILE . 44.5 tp -61.41 -46.08 91.61 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.246 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.95 -33.38 75.89 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 19.4 mm-40 -64.18 -49.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.99 -47.9 81.62 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.215 1.006 . . . . 0.0 111.506 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -54.42 -46.73 70.5 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -59.58 -41.08 89.4 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.629 0.772 . . . . 0.0 112.722 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.47 -52.88 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 0.0 109.704 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 18' ' ' ILE . 75.6 t . . . . . 0 C--N 1.307 -1.243 0 C-N-CA 124.871 1.268 . . . . 0.0 113.685 -175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 1' ' ' ASN . . . . . . . . 0 CA--C 1.504 -0.639 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.0 t -87.55 -162.95 0.86 Allowed 'General case' 0 C--O 1.254 1.331 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -68.6 80.12 0.28 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.4 m -166.81 -53.91 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 105.053 -2.203 . . . . 0.0 105.053 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.421 ' O ' ' HA3' ' A' ' -3' ' ' GLY . 21.4 t-20 157.76 -57.22 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.1 m -125.37 146.55 49.54 Favored 'General case' 0 N--CA 1.404 -2.742 0 CA-C-N 112.808 -1.996 . . . . 0.0 107.422 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 tt -116.22 101.67 12.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.45 115.71 5.4 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.26 -18.76 15.56 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -116.02 87.71 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 122.841 1.305 . . . . 0.0 110.574 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -79.28 -36.09 40.3 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 112.804 -1.998 . . . . 0.0 112.862 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.23 -1.74 58.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t70 59.92 62.11 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.116 1.366 . . . . 0.0 111.078 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -119.13 -2.45 10.73 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.11 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.23 12.21 63.63 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.655 -0.702 . . . . 0.0 114.071 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -152.87 141.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-N 117.285 0.543 . . . . 0.0 111.287 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.22 97.38 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 CA-C-O 121.525 0.679 . . . . 0.0 109.702 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.546 ' HA ' ' O ' ' A' ' 62' ' ' THR . 33.0 p-10 -126.73 173.97 9.11 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.51 -176.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -63.22 -16.23 57.65 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 113.828 -178.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.2 mmt180 -72.99 -25.59 61.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -70.24 -37.24 74.92 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.448 ' CD1' HG22 ' A' ' 58' ' ' VAL . 1.7 mp -53.5 -44.19 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.534 1.134 . . . . 0.0 110.231 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.667 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 25.5 t -57.06 -53.94 36.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.97 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.0 mmm -59.92 -41.85 92.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.442 1.097 . . . . 0.0 110.412 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -54.15 -58.28 7.96 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 125.326 1.451 . . . . 0.0 108.949 176.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.03 -31.57 71.98 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.597 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 28.7 mm-40 -62.46 -56.5 17.57 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.58 -42.23 91.96 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.928 -176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 21' ' ' MET . 91.7 mt -56.28 -39.95 73.49 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.979 0.799 . . . . 0.0 111.245 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.73 -18.95 60.93 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.914 0.485 . . . . 0.0 111.431 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.41 19.96 10.81 Favored Glycine 0 N--CA 1.415 -2.723 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.88 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.71 152.96 21.74 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -93.14 110.71 22.21 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.15 110.73 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.301 -171.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -76.15 124.38 27.34 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.74 24.41 27.98 Favored Glycine 0 CA--C 1.498 -1.019 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.51 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 tt -102.91 153.28 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.808 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.66 97.0 8.65 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HA ' HD11 ' A' ' 38' ' ' LEU . 36.2 ttpt -63.59 -16.81 61.89 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -86.78 -21.74 26.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.01 -4.81 54.17 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.579 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 35' ' ' LYS . 8.3 mp -77.98 -28.45 49.33 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.273 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -86.39 78.15 9.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.644 1.212 . . . . 0.0 109.747 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.6 mt -74.68 -36.37 40.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 CA-C-N 113.192 -1.822 . . . . 0.0 112.314 -173.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -81.53 -10.79 59.38 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.527 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.82 58.66 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.918 -0.583 . . . . 0.0 114.155 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -114.64 -10.51 12.48 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 122.439 -0.448 . . . . 0.0 111.053 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.65 -3.72 61.21 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 116.107 -0.497 . . . . 0.0 113.246 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.99 149.72 52.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.835 0.35 . . . . 0.0 110.738 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.58 105.56 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -135.83 177.28 7.95 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.83 -174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -68.45 -18.08 71.28 Favored Glycine 0 C--O 1.217 -0.938 0 C-N-CA 121.729 -0.272 . . . . 0.0 112.638 -177.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 28.0 mmm180 -59.89 -41.21 91.13 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -69.57 -37.12 76.86 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.028 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.479 ' O ' HG13 ' A' ' 55' ' ' ILE . 28.3 tp -59.61 -44.93 93.26 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.525 176.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 91.2 mtp -65.62 -36.74 84.58 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.154 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 60.8 mm-40 -65.87 -38.96 90.18 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 122.899 0.48 . . . . 0.0 110.486 174.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.02 -47.23 81.08 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.308 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.6 mt -55.88 -41.64 67.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.8 ttmt -55.9 -50.53 70.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.231 175.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.8 mmmt -64.01 -52.72 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.717 0.77 . . . . 0.0 111.069 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 18' ' ' ILE . 75.0 t -68.34 -33.14 58.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.909 -175.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.6 t -69.31 -33.64 73.46 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -80.71 -48.59 12.35 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.931 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -90.67 -71.44 0.63 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -173.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 14' ' ' ASN . 96.9 m -150.94 128.14 11.23 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -176.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.423 -1.819 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 176.609 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.9 m -68.78 -41.87 78.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.501 0.667 . . . . 0.0 109.769 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -115.0 103.36 10.84 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.76 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 44.6 m -131.44 84.57 2.19 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 53.6 t30 158.57 -43.97 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 m -96.27 128.62 43.36 Favored 'General case' 0 N--CA 1.404 -2.736 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.067 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 tt -117.03 106.1 19.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.029 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.39 113.42 2.91 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.475 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.62 -16.59 21.36 Favored Glycine 0 N--CA 1.427 -1.917 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.975 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -118.87 87.97 2.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.897 1.332 . . . . 0.0 109.764 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 6.8 mp -78.79 -37.0 42.0 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 112.865 -1.971 . . . . 0.0 111.8 -172.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -87.32 -4.1 59.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.468 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 57.97 62.67 1.99 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.907 1.283 . . . . 0.0 111.383 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -115.4 -6.13 12.31 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.763 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.82 53.08 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.725 -0.671 . . . . 0.0 114.772 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 p -156.23 149.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.74 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -78.34 97.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 122.036 0.922 . . . . 0.0 109.913 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -126.04 176.32 7.1 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.031 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.447 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -63.3 -21.67 64.52 Favored Glycine 0 N--CA 1.472 1.076 0 N-CA-C 113.708 0.243 . . . . 0.0 113.708 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -63.15 -32.14 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.485 0.714 . . . . 0.0 110.704 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -69.47 -38.95 77.94 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.942 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.447 HD12 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -53.12 -42.39 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.228 1.011 . . . . 0.0 110.442 175.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.617 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 24.3 t -60.48 -52.7 58.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.81 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 69.6 mmm -62.13 -38.8 90.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.77 0.828 . . . . 0.0 110.598 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 tpt -54.61 -56.54 17.96 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 125.4 1.48 . . . . 0.0 108.971 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -63.76 -33.92 76.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.284 -1.325 . . . . 0.0 112.841 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.5 mm-40 -59.61 -57.37 13.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.354 0.597 . . . . 0.0 110.285 177.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -66.37 -41.42 89.48 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.954 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.46 -33.32 67.83 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.781 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.81 -1.88 48.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.039 0.447 . . . . 0.0 111.234 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.01 18.69 57.46 Favored Glycine 0 N--CA 1.43 -1.739 0 CA-C-N 116.161 -0.472 . . . . 0.0 113.155 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -89.08 154.52 20.11 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.002 0.43 . . . . 0.0 110.669 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m -90.61 113.74 25.85 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.74 115.91 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 p -76.25 117.51 18.01 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.2 34.11 13.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.134 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt -103.7 146.29 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -89.78 97.84 11.42 Favored 'General case' 0 CA--C 1.482 -1.651 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -53.03 -28.6 25.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.051 0.94 . . . . 0.0 112.753 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -86.06 -18.75 31.58 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -173.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.24 -9.08 59.06 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' HG ' ' CD2' ' A' ' 7' ' ' LEU . 7.8 mp -77.03 -25.75 52.94 Favored 'General case' 0 C--O 1.199 -1.579 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.721 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.27 76.09 9.22 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 122.995 1.378 . . . . 0.0 109.67 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -75.0 -34.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.202 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -82.74 -8.87 59.56 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.96 58.42 6.8 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 114.924 0.73 . . . . 0.0 114.924 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -115.19 -18.22 11.19 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 117.128 0.464 . . . . 0.0 111.255 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.9 -1.14 51.79 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 121.303 -0.475 . . . . 0.0 113.486 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.26 152.2 51.93 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 122.486 -0.42 . . . . 0.0 110.18 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.68 105.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -135.47 175.98 9.09 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.05 -20.89 69.35 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-N 116.55 -0.295 . . . . 0.0 112.444 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -60.55 -40.12 90.4 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.05 0.54 . . . . 0.0 109.808 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -69.42 -39.69 77.71 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.884 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.39 -44.79 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.593 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.13 -40.58 94.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.524 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 68.0 mm-40 -64.73 -40.9 96.1 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 176.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.24 -47.03 84.19 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 122.804 0.442 . . . . 0.0 110.824 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.19 -40.81 82.01 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -58.18 -43.08 87.33 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.358 1.063 . . . . 0.0 111.523 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.8 mmmt -68.1 -49.56 60.45 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.845 0.458 . . . . 0.0 110.893 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.407 HG23 ' CD1' ' A' ' 18' ' ' ILE . 69.9 t -69.87 -35.35 64.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 123.787 0.835 . . . . 0.0 112.302 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.4 m -71.11 -20.95 62.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.338 0.589 . . . . 0.0 110.216 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -80.98 -48.62 12.01 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.179 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -159.74 132.0 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.943 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 m 77.02 137.66 0.06 Allowed 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 125.916 1.686 . . . . 0.0 113.652 174.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 C--O 1.25 1.082 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 176.609 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.961 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.5 p -134.99 96.42 3.51 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 116.911 0.355 . . . . 0.0 111.153 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 67.43 -72.43 0.09 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.332 1.453 . . . . 0.0 112.7 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 44.1 m -124.23 108.66 12.5 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.402 HD21 ' C ' ' A' ' 1' ' ' ASN . 0.1 OUTLIER -132.49 91.07 2.87 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -177.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.5 m -79.38 115.89 19.3 Favored 'General case' 0 N--CA 1.413 -2.3 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.092 174.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 tt -120.77 107.61 20.97 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.077 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.43 118.47 5.2 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.978 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.85 -20.85 23.89 Favored Glycine 0 N--CA 1.424 -2.122 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.288 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -111.81 93.04 4.26 Favored 'General case' 0 N--CA 1.414 -2.263 0 CA-C-O 122.211 1.005 . . . . 0.0 109.569 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -79.25 -35.77 40.94 Favored 'General case' 0 C--N 1.279 -2.47 0 CA-C-N 113.804 -1.544 . . . . 0.0 112.537 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -90.46 -3.29 57.75 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.501 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 t0 58.49 64.42 1.47 Allowed 'General case' 0 C--O 1.242 0.664 0 CA-C-O 122.562 1.172 . . . . 0.0 112.344 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.0 p30 -118.87 -6.3 10.55 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.877 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.24 10.8 70.58 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 115.083 0.793 . . . . 0.0 115.083 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.35 124.8 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.57 0 CA-C-O 121.247 0.546 . . . . 0.0 110.793 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.3 m -70.87 97.86 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 CA-C-O 121.654 0.74 . . . . 0.0 110.133 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.71 -171.09 2.33 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.54 -24.24 70.87 Favored Glycine 0 C--N 1.313 -0.75 0 CA-C-N 115.656 -0.702 . . . . 0.0 114.447 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.0 mmt180 -65.78 -29.67 70.2 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 117.326 0.563 . . . . 0.0 110.083 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.17 -41.99 76.46 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.8 -42.35 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.703 1.201 . . . . 0.0 110.566 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.624 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.6 t -62.93 -53.02 52.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.909 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 75.6 mmm -60.16 -38.25 82.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.833 0.853 . . . . 0.0 110.749 -177.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 tpt -55.62 -56.56 18.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 124.967 1.307 . . . . 0.0 108.859 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.63 -29.38 70.39 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.582 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.5 mm-40 -62.78 -57.75 9.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.025 0.44 . . . . 0.0 109.839 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.84 -42.86 94.58 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.642 -176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.112 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.56 -11.98 60.61 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 120.844 0.354 . . . . 0.0 111.481 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 22.56 18.56 Favored Glycine 0 N--CA 1.424 -2.164 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -96.77 151.17 19.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.6 m -91.17 113.03 25.19 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.92 114.43 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -174.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -76.42 120.25 21.4 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.588 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.27 17.31 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.5 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 38' ' ' LEU . 16.4 tt -102.35 144.45 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.94 96.39 10.66 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -55.79 -31.5 62.67 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -170.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -78.64 -15.86 58.01 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.96 -5.07 58.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.963 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 33' ' ' ILE . 9.1 mp -80.75 -27.14 36.91 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.333 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.44 77.34 9.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.805 1.288 . . . . 0.0 109.658 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -74.35 -36.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.084 -173.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -81.15 -11.55 59.43 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.539 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.78 58.33 5.85 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.268 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -114.57 -14.39 12.09 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.142 -0.622 . . . . 0.0 110.736 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.12 -11.22 55.43 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.407 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 154.68 41.92 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 117.29 0.545 . . . . 0.0 110.405 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -95.0 105.27 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -135.71 178.44 7.04 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.26 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.91 68.8 Favored Glycine 0 C--O 1.224 -0.519 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.725 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -65.66 -39.95 91.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.74 -40.57 84.16 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.427 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 55' ' ' ILE . 31.1 tp -57.39 -46.95 82.89 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.072 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.2 mtt -66.94 -31.54 72.19 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.191 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.0 mm-40 -68.22 -41.04 81.87 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.73 -45.76 91.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.337 0.655 . . . . 0.0 111.156 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.4 mt -59.85 -43.21 91.44 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.48 -47.67 72.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.057 0.943 . . . . 0.0 111.49 173.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.2 mmmt -60.22 -54.23 48.27 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.462 0.705 . . . . 0.0 110.643 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 61' ' ' ASN . 47.2 t -75.53 -28.11 19.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.694 -174.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.3 t -62.95 -33.15 74.76 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -86.31 -34.74 20.22 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.431 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.433 ' ND2' ' HG1' ' A' ' 62' ' ' THR . 9.0 t30 -138.87 124.7 19.78 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 63' ' ' SER . 1.6 m 72.29 -161.97 0.11 Allowed 'General case' 0 CA--C 1.572 1.793 0 C-N-CA 125.714 1.606 . . . . 0.0 110.94 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.505 ' H ' HG23 ' A' ' 62' ' ' THR . 46.0 m . . . . . 0 N--CA 1.431 -1.421 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.325 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.3 m -104.73 69.13 0.87 Allowed 'General case' 0 C--N 1.299 -1.587 0 CA-C-O 121.599 0.714 . . . . 0.0 111.045 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -106.36 134.54 49.33 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 34.3 m 79.06 -34.41 0.16 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.071 1.748 . . . . 0.0 111.083 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -108.37 73.99 0.91 Allowed 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 104.783 -2.302 . . . . 0.0 104.783 166.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m -115.82 136.82 52.68 Favored 'General case' 0 N--CA 1.406 -2.649 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.043 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tt -103.31 101.06 11.65 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.472 0 CA-C-O 122.345 1.069 . . . . 0.0 108.483 175.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.0 mt -67.25 109.58 3.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.287 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.6 -14.88 9.19 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.698 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -119.0 85.07 2.3 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 123.099 1.428 . . . . 0.0 110.367 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.94 -33.66 45.16 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.359 -2.2 . . . . 0.0 111.98 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -89.53 -2.24 58.29 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.662 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.14 63.39 1.91 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.537 1.135 . . . . 0.0 111.748 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -120.9 1.41 10.44 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.681 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.03 61.96 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.89 147.34 13.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 117.363 0.581 . . . . 0.0 111.659 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.52 100.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 CA-C-O 121.994 0.902 . . . . 0.0 109.095 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -126.11 174.68 8.3 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.921 -177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.65 -19.42 62.72 Favored Glycine 0 N--CA 1.464 0.56 0 CA-C-N 116.494 -0.321 . . . . 0.0 113.843 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.3 mmt180 -66.43 -32.06 73.21 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -67.59 -38.75 84.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.744 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.463 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -53.47 -44.38 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.182 0.993 . . . . 0.0 110.234 174.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 26.5 t -58.52 -54.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.67 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.5 mmm -57.99 -41.31 82.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.236 1.015 . . . . 0.0 110.684 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.402 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -54.79 -57.36 11.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.479 1.512 . . . . 0.0 108.994 177.714 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -64.59 -30.81 71.84 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.75 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -62.81 -56.78 14.41 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 123.262 0.351 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -63.99 -43.49 95.54 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.566 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.54 -33.55 71.55 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.061 0.851 . . . . 0.0 112.243 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.48 59.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.808 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.5 14.33 8.97 Favored Glycine 0 N--CA 1.413 -2.836 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.531 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -89.12 151.94 21.92 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 117.401 0.601 . . . . 0.0 109.965 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.6 m -98.04 106.42 18.71 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 175.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.31 110.37 21.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.904 -171.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 t -76.13 119.57 20.23 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 19.71 25.15 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.061 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.443 ' CD1' HD12 ' A' ' 38' ' ' LEU . 17.8 tt -103.28 148.47 8.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.05 102.24 15.0 Favored 'General case' 0 CA--C 1.475 -1.928 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.3 ttpt -63.71 -22.69 67.03 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 123.7 0.625 . . . . 0.0 111.9 -172.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -75.02 -26.24 59.34 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.114 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.26 -4.27 55.03 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.443 HD12 ' CD1' ' A' ' 33' ' ' ILE . 8.2 mp -79.72 -27.3 40.65 Favored 'General case' 0 C--O 1.197 -1.681 0 O-C-N 123.775 0.672 . . . . 0.0 111.646 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -88.09 78.5 8.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.464 1.126 . . . . 0.0 109.194 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.483 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 54.2 mt -73.91 -37.68 48.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.472 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -82.95 -5.5 59.08 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.708 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.77 56.15 14.15 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.437 -0.801 . . . . 0.0 114.69 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -111.87 -8.33 14.12 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 117.359 0.579 . . . . 0.0 110.859 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.56 -6.9 59.32 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 115.916 -0.584 . . . . 0.0 113.013 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.59 151.42 51.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 0.0 111.522 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.41 106.62 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.885 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -136.67 178.26 7.21 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.218 -176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.93 -18.17 68.4 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 121.613 -0.327 . . . . 0.0 113.46 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.92 -41.44 91.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.234 0.54 . . . . 0.0 109.66 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.74 -39.86 80.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.731 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 55' ' ' ILE . 34.6 tp -59.04 -44.69 91.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.744 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 71.4 mtp -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.672 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 52.1 mm-40 -68.07 -39.15 83.0 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.218 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.14 -46.32 87.76 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.235 0.614 . . . . 0.0 110.932 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.9 mt -56.55 -48.88 79.67 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.507 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -51.98 -46.28 64.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.543 1.137 . . . . 0.0 112.196 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -61.51 -55.44 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.19 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.3 t -70.21 -25.79 28.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.769 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.8 m -66.63 -28.41 68.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.305 0.574 . . . . 0.0 110.088 175.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -90.6 -46.63 8.17 Favored 'General case' 0 N--CA 1.413 -2.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -132.69 126.33 32.31 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 m 64.71 161.43 0.12 Allowed 'General case' 0 CA--C 1.583 2.219 0 C-N-CA 125.241 1.416 . . . . 0.0 113.929 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.255 1.391 0 O-C-N 120.957 -1.09 . . . . 0.0 109.206 176.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.271 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.0 m 66.61 177.01 0.23 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.601 1.16 . . . . 0.0 111.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 70.04 84.26 0.14 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.841 1.257 . . . . 0.0 111.669 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 37.0 t 71.46 127.7 0.03 OUTLIER 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.727 1.611 . . . . 0.0 110.991 -176.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -103.29 1.34 32.72 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.5 m -81.79 118.03 22.55 Favored 'General case' 0 N--CA 1.415 -2.205 0 CA-C-O 121.696 0.76 . . . . 0.0 110.732 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -122.43 107.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.111 0 CA-C-N 114.236 -1.347 . . . . 0.0 107.663 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.8 mt -61.85 111.38 1.86 Allowed 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -175.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.98 -20.53 10.67 Favored Glycine 0 N--CA 1.426 -2.002 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.027 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -116.73 88.77 2.97 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-O 122.971 1.367 . . . . 0.0 109.615 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.76 -38.8 37.74 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.891 -1.958 . . . . 0.0 111.866 -172.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -86.88 -3.17 59.04 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.793 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 60.29 62.48 1.58 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 122.73 1.253 . . . . 0.0 111.556 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -119.5 3.54 11.23 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.769 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.48 5.24 75.66 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.091 -0.958 . . . . 0.0 114.601 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -151.28 139.65 14.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 116.962 0.381 . . . . 0.0 111.472 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.13 98.13 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-O 121.862 0.839 . . . . 0.0 109.055 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 62' ' ' THR . 32.3 p-10 -126.33 177.7 6.28 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.144 -175.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -62.04 -24.25 64.76 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.861 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.1 mmt180 -65.04 -31.72 73.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 122.666 -0.314 . . . . 0.0 110.507 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.83 -39.59 90.97 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.978 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.7 mp -51.67 -45.12 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.548 175.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.662 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -60.51 -54.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.597 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 70.7 mmm -57.55 -42.4 82.93 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.29 1.036 . . . . 0.0 110.601 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 tpt -55.24 -57.17 12.89 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 109.199 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -30.25 71.35 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.049 -1.432 . . . . 0.0 112.569 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 30.3 mm-40 -62.8 -57.24 11.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.634 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -65.16 -41.79 94.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.51 -33.87 68.5 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.441 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.01 -0.03 26.27 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.979 0.511 . . . . 0.0 111.858 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.53 61.78 Favored Glycine 0 N--CA 1.419 -2.485 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.854 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -88.54 157.36 18.64 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 117.41 0.605 . . . . 0.0 109.58 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.3 m -97.84 113.64 25.49 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.2 108.97 19.21 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.388 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -76.04 116.79 17.09 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.11 32.13 8.06 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.745 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 38' ' ' LEU . 17.6 tt -110.84 152.57 12.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.15 97.8 11.36 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 170.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.0 ttpt -60.02 -18.87 49.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.896 0.878 . . . . 0.0 112.687 -172.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.54 -21.75 25.24 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 122.95 0.5 . . . . 0.0 109.808 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.52 -4.23 53.15 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.043 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 33' ' ' ILE . 8.2 mp -78.88 -25.48 43.9 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.85 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.13 76.99 9.18 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-O 122.637 1.208 . . . . 0.0 108.668 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.17 -34.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 112.838 -1.983 . . . . 0.0 111.946 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.882 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.51 58.41 5.45 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.923 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -114.66 -13.44 12.1 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 117.236 0.518 . . . . 0.0 111.046 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.98 -9.25 54.91 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.527 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.09 153.58 47.51 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 117.237 0.519 . . . . 0.0 110.573 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.32 104.97 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.36 178.86 6.74 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.713 -174.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.22 -16.79 69.42 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.626 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -62.38 -42.8 99.69 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -68.06 -40.96 82.64 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.57 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 55' ' ' ILE . 35.5 tp -57.65 -43.83 85.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.908 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 40.3 mtt -69.9 -29.86 67.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.143 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.3 mm-40 -70.19 -38.29 75.3 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.81 -45.01 91.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 51' ' ' LEU . 77.0 mt -57.57 -45.87 86.2 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.4 tttt -54.14 -49.49 69.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.387 1.075 . . . . 0.0 111.412 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.4 mmmt -63.43 -56.48 15.86 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.734 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 62' ' ' THR . 71.7 t -66.02 -38.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 123.966 0.907 . . . . 0.0 113.255 -175.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.3 m -71.97 -24.07 61.53 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.537 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -88.71 -34.45 17.18 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.85 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -104.75 -71.15 0.75 Allowed 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.462 ' O ' HG12 ' A' ' 58' ' ' VAL . 95.5 m -151.29 138.43 19.22 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 119.32 0.964 . . . . 0.0 112.253 -172.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.419 ' OXT' ' HB2' ' A' ' 14' ' ' ASN . 2.3 p . . . . . 0 C--O 1.259 1.57 0 C-N-CA 123.216 0.606 . . . . 0.0 109.934 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.814 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.6 m -95.93 178.91 5.27 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -79.0 0.65 26.79 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.373 0.606 . . . . 0.0 112.008 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.6 m -140.65 133.42 28.94 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -89.53 70.9 7.97 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 122.657 1.218 . . . . 0.0 107.806 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.5 m -84.89 121.87 28.36 Favored 'General case' 0 C--N 1.278 -2.522 0 CA-C-N 113.144 -1.844 . . . . 0.0 110.351 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 tt -114.76 106.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.369 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.988 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.7 mt -60.32 115.37 3.48 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.366 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.12 -15.34 20.88 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -118.53 84.76 2.24 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-O 122.612 1.196 . . . . 0.0 109.354 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.17 -37.17 46.42 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.618 -173.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -85.64 -3.83 58.99 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 59.55 63.11 1.59 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 124.572 1.17 . . . . 0.0 111.92 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -122.3 4.55 9.72 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.65 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.38 10.96 72.97 Favored Glycine 0 CA--C 1.499 -0.93 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -154.45 142.69 13.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 117.114 0.457 . . . . 0.0 110.345 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -78.7 96.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.175 0 CA-C-O 122.028 0.918 . . . . 0.0 108.94 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -125.07 174.66 7.88 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.996 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.79 -24.41 62.37 Favored Glycine 0 N--CA 1.47 0.9 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.24 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.494 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.2 mmt180 -64.32 -31.29 72.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.837 0.351 . . . . 0.0 110.34 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.08 -37.7 81.52 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.273 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -52.33 -45.06 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.117 0.967 . . . . 0.0 110.164 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.618 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.7 t -59.26 -52.71 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.657 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.7 mmm -60.02 -41.8 92.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.157 0.983 . . . . 0.0 110.462 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.419 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.2 tpt -54.37 -57.44 11.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.309 1.443 . . . . 0.0 108.679 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.47 -35.39 75.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.648 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 7.6 mm-40 -60.37 -55.34 34.75 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 120.875 0.369 . . . . 0.0 110.627 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -66.16 -41.74 89.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.932 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 21' ' ' MET . 85.0 mt -55.79 -40.22 72.38 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.0 0.813 . . . . 0.0 111.234 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.14 60.91 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.5 10.14 Favored Glycine 0 N--CA 1.422 -2.277 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.392 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -88.1 148.88 24.25 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -85.36 107.61 17.44 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.91 111.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.02 117.52 17.82 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.34 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.79 28.09 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.292 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CD1' HD12 ' A' ' 38' ' ' LEU . 18.3 tt -97.17 150.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -85.54 99.92 11.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 169.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -69.67 -12.09 61.36 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 123.82 0.7 . . . . 0.0 112.077 -170.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -88.23 -24.95 23.11 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.76 35.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.145 -173.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 33' ' ' ILE . 8.5 mp -78.55 -24.25 45.74 Favored 'General case' 0 CA--C 1.478 -1.827 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.297 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.02 74.64 5.55 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-O 122.832 1.301 . . . . 0.0 110.132 -175.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 33.6 mt -74.31 -28.5 22.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 112.813 -1.994 . . . . 0.0 112.185 -172.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -85.96 -9.87 56.13 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.196 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.48 51.57 47.2 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.645 -0.707 . . . . 0.0 114.8 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 p30 -114.81 -19.33 11.06 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 117.742 0.771 . . . . 0.0 110.86 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.87 -10.59 55.79 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 121.359 -0.448 . . . . 0.0 113.724 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.15 130.89 53.93 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 117.537 0.668 . . . . 0.0 109.748 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.21 107.92 14.67 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.596 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -135.55 177.36 7.88 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.724 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.75 -15.16 57.36 Favored Glycine 0 C--O 1.22 -0.751 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.025 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.5 mtm180 -67.85 -34.08 76.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -72.91 -38.49 66.86 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 55' ' ' ILE . 43.5 tp -58.86 -43.79 90.88 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.028 175.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 67.7 mtt -62.33 -37.51 85.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 177.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.78 -39.21 84.1 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.58 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.47 -47.69 78.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.616 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.9 mt -58.39 -44.25 88.2 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -52.8 -46.81 67.83 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.424 1.089 . . . . 0.0 111.66 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -64.49 -54.6 29.9 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.747 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 18' ' ' ILE . 59.5 t -68.24 -24.98 30.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 C-N-CA 123.657 0.783 . . . . 0.0 112.04 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.6 m -74.49 -31.73 62.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.963 0.411 . . . . 0.0 110.756 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -75.61 -34.25 60.58 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 122.212 1.006 . . . . 0.0 108.488 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -85.79 179.26 7.08 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 175.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.5 m -110.68 76.72 1.0 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.614 -1.304 . . . . 0.0 111.029 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.266 1.924 0 C-N-CA 125.545 1.538 . . . . 0.0 112.432 178.266 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.753 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 26.2 m -134.52 85.09 2.16 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 63.74 10.17 4.92 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.605 1.562 . . . . 0.0 112.182 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.0 t -178.87 163.83 1.44 Allowed 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 -174.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.13 -15.35 47.52 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.8 m -64.97 132.45 49.32 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.0 tt -128.74 103.82 10.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.464 -174.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.5 mt -60.0 118.51 6.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.767 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.45 -15.76 29.66 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.394 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -117.18 86.07 2.44 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-O 122.938 1.352 . . . . 0.0 109.438 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.77 -36.35 43.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 112.812 -1.994 . . . . 0.0 111.72 -173.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -85.92 -4.94 59.29 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 59.37 62.37 1.81 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.708 1.242 . . . . 0.0 111.416 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -118.17 3.89 12.0 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.758 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.04 8.94 74.7 Favored Glycine 0 N--CA 1.438 -1.19 0 CA-C-N 115.026 -0.988 . . . . 0.0 114.144 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -153.5 139.73 11.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 CA-C-N 117.148 0.474 . . . . 0.0 111.269 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.43 97.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 121.463 0.649 . . . . 0.0 109.412 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 62' ' ' THR . 29.3 p-10 -126.19 177.3 6.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.776 -176.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.488 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.3 -25.6 62.81 Favored Glycine 0 N--CA 1.469 0.85 0 CA-C-N 116.11 -0.495 . . . . 0.0 114.146 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 20' ' ' MET . 29.7 mmt180 -63.15 -31.45 72.59 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.573 -0.369 . . . . 0.0 110.786 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.98 -39.51 90.42 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.31 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -52.38 -45.22 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.391 1.076 . . . . 0.0 110.23 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.617 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 38.9 t -59.3 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -64.64 -39.28 93.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.058 0.943 . . . . 0.0 110.479 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 tpt -56.71 -55.37 34.97 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 124.995 1.318 . . . . 0.0 108.567 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -63.35 -32.38 73.79 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.292 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 15.2 mm-40 -60.9 -58.12 9.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.02 -42.41 97.13 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.002 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -57.56 -33.67 68.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 123.829 0.706 . . . . 0.0 112.239 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.31 -7.34 57.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.304 0.573 . . . . 0.0 110.923 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.82 24.14 31.02 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.102 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -96.06 152.12 18.83 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -91.07 122.42 33.7 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.33 115.73 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 t -75.6 119.86 20.23 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.45 23.02 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.2 -0.524 . . . . 0.0 113.002 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 38' ' ' LEU . 18.1 tt -102.68 148.87 7.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.15 101.55 14.27 Favored 'General case' 0 CA--C 1.483 -1.615 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -24.78 66.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.869 0.843 . . . . 0.0 112.521 -171.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -82.08 -22.98 36.04 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.61 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.28 -2.35 48.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.546 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 33' ' ' ILE . 9.5 mp -79.39 -29.72 42.17 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.536 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -87.88 76.52 8.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.681 1.229 . . . . 0.0 110.08 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 39.0 mt -74.43 -33.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.604 -171.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.46 -12.02 56.82 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.305 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.32 58.31 5.59 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 115.989 -0.55 . . . . 0.0 114.148 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -114.66 -14.83 12.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.034 0.417 . . . . 0.0 111.638 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.48 55.2 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.541 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.97 156.3 41.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.992 0.396 . . . . 0.0 110.092 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.9 t -98.76 106.75 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.362 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.0 179.37 6.39 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.245 -173.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 -21.57 71.1 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.117 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.0 mmm-85 -54.85 -45.48 74.55 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 123.264 0.626 . . . . 0.0 109.692 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -67.59 -37.58 82.79 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.957 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 55' ' ' ILE . 39.8 tp -61.78 -44.63 96.49 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.663 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.3 mtt -65.64 -33.11 75.14 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.895 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.6 mm-40 -68.14 -43.86 77.38 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.561 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.9 -47.53 85.98 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 123.646 0.779 . . . . 0.0 110.867 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.0 mt -55.33 -41.7 63.14 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 35.4 ttpt -59.61 -50.76 72.62 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 122.844 0.458 . . . . 0.0 111.357 175.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.4 mmmt -59.76 -49.58 77.17 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.876 0.846 . . . . 0.0 110.832 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 18' ' ' ILE . 86.4 t -74.26 -30.7 27.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.271 -175.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.4 p -76.53 -33.11 58.59 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.318 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -65.93 -49.56 67.54 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.213 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -95.8 -82.69 0.38 Allowed 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -174.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 14' ' ' ASN . 43.3 m -152.71 133.88 14.23 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.965 -0.459 . . . . 0.0 109.887 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.43 -1.44 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.521 177.379 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.078 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.6 t 77.26 146.64 0.09 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.471 1.509 . . . . 0.0 110.947 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -123.25 92.56 3.72 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 42.4 m 70.08 -60.5 0.48 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.599 1.56 . . . . 0.0 112.075 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -159.28 101.71 1.57 Allowed 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 51.9 m -82.24 121.37 26.56 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.673 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 tt -119.94 102.41 12.62 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 114.557 -1.202 . . . . 0.0 108.757 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.44 117.65 4.71 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.292 0.637 . . . . 0.0 111.19 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.64 -21.89 20.42 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -114.99 88.36 2.85 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 122.602 1.191 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.87 -37.25 40.73 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.32 -173.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.44 -7.12 58.69 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.028 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 61.6 63.32 1.18 Allowed 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.479 1.133 . . . . 0.0 111.879 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -121.56 0.95 10.02 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.93 6.51 67.06 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 115.225 0.85 . . . . 0.0 115.225 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.0 142.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 117.339 0.57 . . . . 0.0 110.994 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.93 96.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.967 0.889 . . . . 0.0 110.006 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -125.67 179.21 5.26 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.992 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -65.93 -19.7 67.94 Favored Glycine 0 N--CA 1.471 0.996 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.292 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -69.67 -29.8 67.32 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -68.44 -39.66 81.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.7 mp -50.77 -43.03 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 124.352 1.033 . . . . 0.0 110.64 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.633 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -61.64 -54.65 31.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.788 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.1 mmm -57.09 -42.2 80.26 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.384 1.074 . . . . 0.0 110.36 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.67 -57.35 11.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 125.582 1.553 . . . . 0.0 109.159 177.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -63.65 -33.38 75.49 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.298 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.1 mm-40 -60.51 -55.36 34.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.049 0.452 . . . . 0.0 110.72 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.71 -43.1 90.15 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.315 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.99 -35.94 71.93 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.776 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -22.74 60.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.16 0.505 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.93 25.39 6.82 Favored Glycine 0 N--CA 1.415 -2.727 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.758 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -93.01 158.64 15.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.267 0.534 . . . . 0.0 110.111 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -94.89 109.72 21.68 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.78 119.41 41.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -76.03 126.79 31.65 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.86 31.32 49.31 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.094 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.427 ' CD1' HD13 ' A' ' 38' ' ' LEU . 17.6 tt -102.35 146.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.88 99.73 12.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 169.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -63.71 -16.45 61.12 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.212 1.005 . . . . 0.0 112.521 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -89.68 -24.07 21.69 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -8.19 57.29 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.505 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' A' ' 33' ' ' ILE . 7.6 mp -75.96 -28.21 57.82 Favored 'General case' 0 C--O 1.196 -1.721 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -86.19 77.45 9.56 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.877 1.322 . . . . 0.0 109.522 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mt -74.54 -37.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.63 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.402 ' HB3' ' HG3' ' A' ' 53' ' ' GLU . 21.9 p-10 -80.51 -7.93 59.38 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.585 -178.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.82 58.39 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.684 -0.689 . . . . 0.0 114.281 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -114.81 -13.91 11.99 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.398 0.599 . . . . 0.0 111.353 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.32 57.49 Favored Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.341 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.43 148.8 52.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.035 0.418 . . . . 0.0 110.655 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.73 105.01 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.004 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -135.84 176.87 8.29 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.261 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.84 -15.47 66.92 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 116.625 -0.262 . . . . 0.0 112.955 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 25.3 mmm180 -62.84 -43.7 98.09 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -68.51 -36.72 79.28 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.909 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 55' ' ' ILE . 29.7 tp -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.395 176.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.09 -32.57 73.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.549 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.571 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 63.7 mm-40 -67.9 -39.27 83.63 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.441 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.62 -44.05 91.78 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -59.28 -40.27 80.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.0 ttmt -56.96 -55.25 37.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.489 0.716 . . . . 0.0 110.107 173.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.2 mmmt -55.88 -53.31 58.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.213 1.005 . . . . 0.0 112.481 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.43 HG22 ' CD1' ' A' ' 18' ' ' ILE . 58.3 t -69.25 -33.77 59.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.032 -177.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.4 m -70.05 -38.32 75.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 119.626 -0.83 . . . . 0.0 109.887 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -65.9 -58.82 4.69 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.689 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -67.08 -43.47 82.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.048 -176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m 76.44 125.89 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.61 1.164 . . . . 0.0 111.738 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.311 -1.068 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -178.42 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.512 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.3 m -71.72 123.01 21.65 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 123.076 0.55 . . . . 0.0 110.098 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.97 95.71 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.3 m -133.76 149.8 51.46 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.82 64.02 7.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.755 1.264 . . . . 0.0 110.241 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.1 m -126.41 139.41 53.29 Favored 'General case' 0 N--CA 1.411 -2.398 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.7 tt -105.78 101.25 12.13 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 122.187 0.994 . . . . 0.0 109.81 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 52.0 mt -68.42 111.26 4.56 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.495 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.47 -18.29 9.43 Favored Glycine 0 N--CA 1.429 -1.805 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.429 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 20.6 t70 -114.52 89.22 3.04 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 122.704 1.24 . . . . 0.0 110.442 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.57 -34.91 46.63 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.12 -1.854 . . . . 0.0 112.665 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -90.49 -2.2 57.91 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 28.6 t70 59.98 63.4 1.46 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.552 1.168 . . . . 0.0 111.653 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -118.69 -1.9 11.04 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.854 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.8 -2.25 69.45 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.569 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -146.65 138.27 18.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 117.516 0.658 . . . . 0.0 112.315 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.18 96.96 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-O 122.267 1.032 . . . . 0.0 110.182 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -125.46 -177.11 3.78 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.146 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.422 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -68.28 -20.34 73.18 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.818 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.8 mmt180 -67.16 -31.12 71.33 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 122.796 0.438 . . . . 0.0 110.288 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.8 -40.26 79.67 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.182 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.422 HD12 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -51.95 -45.42 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.105 0.962 . . . . 0.0 110.225 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.667 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 37.4 t -56.8 -54.44 29.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.731 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 78.0 mmm -61.46 -39.8 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.979 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 tpt -54.17 -57.96 9.16 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 125.137 1.375 . . . . 0.0 109.471 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -64.11 -31.85 73.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.368 -1.742 . . . . 0.0 112.17 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.4 mm-40 -61.24 -59.0 5.98 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.542 0.526 . . . . 0.0 109.872 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.54 -44.53 93.95 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.962 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.0 mt -57.2 -35.49 69.7 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 124.122 0.889 . . . . 0.0 112.141 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -9.21 58.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.921 0.391 . . . . 0.0 111.615 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.2 23.03 20.94 Favored Glycine 0 N--CA 1.416 -2.682 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.593 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -99.12 147.09 25.44 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.5 m -99.58 111.33 23.69 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.96 111.42 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.762 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 -171.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -73.77 117.28 15.36 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.49 6.94 46.6 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.774 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CD1' HD13 ' A' ' 38' ' ' LEU . 16.1 tt -88.61 147.23 5.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.13 98.06 11.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HA ' HD11 ' A' ' 38' ' ' LEU . 34.8 ttmt -60.14 -25.21 65.32 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.324 0.583 . . . . 0.0 112.149 -172.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -76.62 -24.16 53.37 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.982 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.34 -3.94 57.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.657 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 33' ' ' ILE . 8.7 mp -80.72 -26.88 37.14 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.13 75.04 10.38 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.636 1.208 . . . . 0.0 109.607 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.455 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.1 mt -74.62 -35.78 38.87 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.167 -174.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -80.49 -10.03 59.75 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.239 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.93 58.68 8.57 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.086 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -115.18 -15.17 11.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.118 0.459 . . . . 0.0 112.074 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.16 0.68 54.43 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.405 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.47 153.21 51.81 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -94.46 104.07 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.177 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.38 173.95 11.15 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.077 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.84 -15.64 58.22 Favored Glycine 0 N--CA 1.474 1.196 0 CA-C-N 116.608 -0.269 . . . . 0.0 113.374 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -64.36 -37.05 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -73.41 -38.13 65.68 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 55' ' ' ILE . 35.6 tp -57.4 -46.75 83.13 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.922 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 81.8 mtp -65.45 -33.82 76.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.35 -40.09 85.8 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.29 -45.45 87.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.811 0.339 . . . . 0.0 110.393 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -58.59 -42.12 83.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.007 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 31.9 ttmt -55.05 -56.13 23.21 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.061 0.545 . . . . 0.0 110.265 173.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.5 mmmt -55.0 -55.9 25.73 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.922 0.889 . . . . 0.0 111.994 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 18' ' ' ILE . 53.2 t -73.73 -26.81 22.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.56 -174.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.7 m -82.57 -21.55 35.21 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.624 -0.831 . . . . 0.0 111.012 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -81.39 -36.11 29.94 Favored 'General case' 0 N--CA 1.427 -1.589 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -88.19 178.62 6.57 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.5 m -97.96 141.36 31.03 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.299 -1.618 0 CA-C-O 119.109 -0.472 . . . . 0.0 109.903 -178.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.021 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.5 m -156.26 129.64 8.18 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -81.69 77.93 8.48 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.002 0.906 . . . . 0.0 110.709 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.5 t -164.63 147.69 8.83 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -111.54 8.87 21.16 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.7 m -74.3 118.81 17.68 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 121.887 0.851 . . . . 0.0 111.03 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 tt -130.05 108.86 16.67 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.07 112.99 2.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.487 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.96 -17.43 17.46 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 15.7 t0 -118.68 88.8 3.0 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.014 1.388 . . . . 0.0 110.257 177.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.12 -35.73 41.73 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 112.718 -2.037 . . . . 0.0 112.467 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -90.31 -4.01 57.4 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.324 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 61.27 63.62 1.2 Allowed 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.576 1.179 . . . . 0.0 111.538 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -115.32 -8.98 12.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.553 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.38 -1.9 58.99 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-N 115.475 -0.784 . . . . 0.0 114.59 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.6 148.68 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.368 0 CA-C-N 118.161 0.98 . . . . 0.0 112.792 -174.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.84 97.49 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.153 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -126.42 -167.54 1.73 Allowed 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.64 -0.663 . . . . 0.0 111.37 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.57 -21.8 77.76 Favored Glycine 0 C--O 1.223 -0.563 0 CA-C-N 115.879 -0.6 . . . . 0.0 114.207 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 20' ' ' MET . 22.2 mmt180 -64.96 -36.09 83.27 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 121.099 0.476 . . . . 0.0 110.013 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.421 ' OD2' ' HA ' ' A' ' 6' ' ' ASP . 15.4 m-20 -63.45 -43.74 96.53 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.741 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -50.27 -44.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.246 0.966 . . . . 0.0 110.967 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.641 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 22.3 t -62.57 -54.46 33.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.894 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.057 0.943 . . . . 0.0 110.645 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.66 -56.27 20.88 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 125.316 1.446 . . . . 0.0 109.533 177.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -66.41 -31.24 71.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.481 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.4 mm-40 -59.43 -56.08 26.54 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.336 0.589 . . . . 0.0 109.974 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.57 -42.13 83.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -55.65 -39.85 71.44 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.906 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.37 63.32 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 122.885 0.474 . . . . 0.0 111.07 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.12 27.22 8.35 Favored Glycine 0 N--CA 1.42 -2.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.876 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -95.79 158.44 15.45 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -91.27 111.6 23.15 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.55 108.56 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -76.41 116.99 17.62 Favored 'General case' 0 C--N 1.282 -2.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.81 25.53 22.35 Favored Glycine 0 C--O 1.246 0.9 0 CA-C-N 116.033 -0.53 . . . . 0.0 113.427 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.412 ' CD1' HD13 ' A' ' 38' ' ' LEU . 16.9 tt -99.3 152.22 4.56 Favored 'Isoleucine or valine' 0 C--O 1.248 0.986 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -93.6 97.88 10.78 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 168.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HA ' HD11 ' A' ' 38' ' ' LEU . 38.2 ttmt -64.82 -15.13 61.36 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 123.639 0.776 . . . . 0.0 112.663 -170.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -85.13 -26.77 26.66 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.638 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.74 -2.72 37.64 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.846 0.459 . . . . 0.0 111.841 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 35' ' ' LYS . 7.8 mp -81.7 -23.09 37.01 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.808 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -87.06 72.53 10.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.733 1.254 . . . . 0.0 109.721 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.29 -35.08 38.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 113.439 -1.709 . . . . 0.0 111.774 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -81.11 -10.77 59.61 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.246 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.38 58.67 6.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 116.05 -0.523 . . . . 0.0 114.211 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -115.59 -12.59 11.58 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.489 0.645 . . . . 0.0 112.271 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.74 53.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.489 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.73 162.49 32.2 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.761 0.315 . . . . 0.0 110.456 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -102.06 111.74 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.263 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -135.05 178.58 6.92 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 122.457 0.303 . . . . 0.0 110.634 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.85 -15.42 66.86 Favored Glycine 0 CA--C 1.506 -0.511 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.038 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 52.9 mtm180 -69.18 -32.97 72.63 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -73.31 -37.38 66.19 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.835 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 55' ' ' ILE . 26.7 tp -58.66 -45.44 89.34 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.851 175.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 88.6 mtp -70.74 -25.21 62.82 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.658 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 39.4 mm-40 -72.2 -40.09 68.13 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 172.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.55 -45.86 88.61 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.394 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.9 mt -60.19 -40.62 84.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.831 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.271 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.3 tttt -54.96 -46.8 75.07 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.237 1.015 . . . . 0.0 110.908 173.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mmmt -64.59 -52.85 55.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.341 0.657 . . . . 0.0 111.435 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.2 t -72.98 -25.04 21.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -73.6 -29.45 62.39 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 176.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -76.44 -46.0 28.89 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.942 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -86.63 177.45 7.36 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.635 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 m -82.73 141.55 32.31 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 173.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.302 -1.496 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.519 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.972 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.7 m 69.05 120.29 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.931 1.293 . . . . 0.0 113.289 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 68.54 -76.78 0.05 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.677 1.591 . . . . 0.0 111.472 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 45.2 t -92.4 124.32 36.36 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -132.16 28.0 4.46 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.26 0.552 . . . . 0.0 110.043 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -72.41 114.68 10.8 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-O 122.049 0.928 . . . . 0.0 111.937 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 tt -124.08 106.16 16.52 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.669 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.8 113.08 1.88 Allowed 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.54 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.04 -17.7 17.01 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.491 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.427 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 24.5 t70 -121.81 87.37 2.74 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 122.952 1.358 . . . . 0.0 109.799 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.58 -34.08 47.16 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 112.955 -1.93 . . . . 0.0 112.439 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.39 -4.0 57.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.45 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.8 t70 57.75 64.19 1.62 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 124.472 1.108 . . . . 0.0 112.2 178.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -122.68 8.56 9.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.413 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.85 10.19 81.5 Favored Glycine 0 CA--C 1.491 -1.414 0 CA-C-N 115.512 -0.767 . . . . 0.0 114.618 171.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -154.62 138.94 9.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.135 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.5 98.76 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.476 1.131 . . . . 0.0 109.599 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -125.45 177.11 6.37 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.766 -176.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 18' ' ' ILE . . . -66.34 -19.15 68.24 Favored Glycine 0 C--O 1.225 -0.465 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.94 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.3 mmt180 -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -63.52 -42.18 98.47 Favored 'General case' 0 CA--C 1.491 -1.312 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.18 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.408 HD11 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.09 -43.28 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.175 0.99 . . . . 0.0 110.756 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.686 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.0 t -64.26 -52.14 59.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.296 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.8 mmm -57.53 -42.91 83.83 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 124.235 0.96 . . . . 0.0 110.176 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.79 -58.2 8.1 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 125.664 1.585 . . . . 0.0 108.911 177.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.93 -31.54 71.87 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.895 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.686 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 25.6 mm-40 -63.72 -54.11 40.54 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.956 0.408 . . . . 0.0 110.24 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -67.7 -40.86 84.31 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.534 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -58.82 -32.89 69.78 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.53 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.81 -10.87 59.93 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.17 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.53 20.25 32.6 Favored Glycine 0 N--CA 1.426 -1.975 0 CA-C-N 116.44 -0.345 . . . . 0.0 112.831 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -90.84 157.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -93.83 112.65 24.54 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -95.95 117.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -76.33 117.83 18.41 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.843 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.18 21.85 Favored Glycine 0 N--CA 1.436 -1.338 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.8 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 tt -101.61 143.76 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.31 95.19 10.19 Favored 'General case' 0 CA--C 1.482 -1.666 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 172.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HA ' HD13 ' A' ' 38' ' ' LEU . 14.0 tmtt? -56.12 -23.75 36.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.948 0.899 . . . . 0.0 113.269 -174.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.79 -23.66 41.98 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.301 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.71 -2.26 55.85 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.8 mp -78.72 -27.75 44.94 Favored 'General case' 0 CA--C 1.495 -1.149 0 O-C-N 123.745 0.653 . . . . 0.0 111.922 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -87.1 77.82 9.03 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 122.806 1.288 . . . . 0.0 109.793 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.6 mt -73.64 -34.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.225 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -83.43 -6.31 59.42 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.105 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.51 58.25 13.12 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.647 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -110.49 -15.21 13.96 Favored 'General case' 0 C--N 1.309 -1.153 0 O-C-N 122.363 -0.492 . . . . 0.0 111.196 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.01 4.34 48.07 Favored Glycine 0 N--CA 1.44 -1.096 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.848 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.77 147.93 32.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.464 0.632 . . . . 0.0 111.126 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.45 104.34 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.678 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -136.63 177.53 7.78 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.025 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -20.33 66.69 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.153 -0.476 . . . . 0.0 113.127 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -59.12 -41.38 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -69.69 -39.32 77.02 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.994 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' O ' HG13 ' A' ' 55' ' ' ILE . 31.3 tp -59.38 -45.49 91.3 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 124.173 0.921 . . . . 0.0 109.468 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.69 -33.54 75.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.628 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 25.7 mm-40 -67.86 -37.99 82.55 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.74 -43.92 87.51 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.583 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -59.16 -44.17 91.16 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.784 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.0 tttt -53.21 -43.53 67.29 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 124.8 1.24 . . . . 0.0 111.632 173.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -68.16 -49.23 62.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.404 HG21 ' CD1' ' A' ' 18' ' ' ILE . 44.6 t -83.83 -14.87 11.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-O 122.156 0.979 . . . . 0.0 112.687 -174.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.4 p -76.78 -32.47 57.7 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.102 -0.999 . . . . 0.0 108.417 170.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -72.65 -60.57 2.17 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.869 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -97.74 103.24 15.16 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 174.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 t -94.27 139.54 30.92 Favored 'General case' 0 C--N 1.273 -2.752 0 CA-C-O 121.725 0.774 . . . . 0.0 112.781 -168.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.419 -1.999 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.141 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.321 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 13.6 m -72.85 112.58 9.02 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.394 0.678 . . . . 0.0 110.574 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 49.9 70.25 0.52 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.551 1.14 . . . . 0.0 113.125 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 46.7 m -156.0 143.71 19.53 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -83.28 -92.56 0.07 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 174.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 m -127.11 114.85 18.28 Favored 'General case' 0 N--CA 1.402 -2.827 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 tt -100.93 101.9 12.72 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.397 0 CA-C-O 122.041 0.924 . . . . 0.0 109.887 -177.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.511 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 51.3 mt -64.73 112.72 3.35 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.718 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.0 -15.94 12.18 Favored Glycine 0 N--CA 1.426 -1.974 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.564 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 24.5 t70 -117.27 86.49 2.52 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 122.734 1.254 . . . . 0.0 109.671 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.44 -33.0 48.8 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.002 -1.908 . . . . 0.0 112.903 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -92.06 3.15 55.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.208 0.527 . . . . 0.0 110.499 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.564 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.411 5.1 p-10 47.34 57.57 5.7 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 126.811 2.044 . . . . 0.0 114.616 179.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -110.37 0.59 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.198 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.17 59.0 Favored Glycine 0 CA--C 1.502 -0.733 0 N-CA-C 115.192 0.837 . . . . 0.0 115.192 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.33 138.82 6.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 117.947 0.873 . . . . 0.0 111.414 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.1 98.41 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-O 122.673 1.225 . . . . 0.0 110.377 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -125.16 177.4 6.13 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 114.626 -1.17 . . . . 0.0 113.198 -175.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -64.03 -24.81 68.93 Favored Glycine 0 N--CA 1.467 0.752 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.529 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.0 mmt180 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.787 0.835 . . . . 0.0 110.353 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -66.81 -40.93 88.22 Favored 'General case' 0 CA--C 1.488 -1.441 0 C-N-CA 122.804 0.442 . . . . 0.0 110.142 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.6 mp -50.2 -47.42 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 124.354 1.034 . . . . 0.0 110.144 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.675 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 14.2 t -59.15 -54.71 30.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.677 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.8 mmm -57.1 -41.86 79.68 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.262 0.976 . . . . 0.0 110.771 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.5 tpt -56.02 -56.87 15.5 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.227 1.411 . . . . 0.0 109.41 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 69.0 mtp180 -68.54 -23.22 64.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 113.973 -1.467 . . . . 0.0 112.012 -173.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.675 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.2 mm-40 -67.53 -57.27 6.79 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.33 -41.2 98.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 21' ' ' MET . 89.3 mt -56.99 -36.91 70.91 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.475 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 -14.25 58.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.435 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.21 19.69 22.8 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 116.268 -0.424 . . . . 0.0 113.17 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.39 151.74 19.57 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 122.353 -0.498 . . . . 0.0 109.716 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.5 m -82.55 126.36 32.19 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 174.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.02 114.49 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.084 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -75.77 122.02 23.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.153 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.2 34.38 14.73 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.397 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CD1' HD12 ' A' ' 38' ' ' LEU . 15.0 tt -107.99 144.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-O 121.028 0.442 . . . . 0.0 110.355 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -92.5 96.86 10.47 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -60.16 -19.6 54.65 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.938 0.773 . . . . 0.0 112.458 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -84.69 -21.76 30.04 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.252 0.621 . . . . 0.0 110.314 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.65 0.7 51.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.74 0.305 . . . . 0.0 111.641 -174.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 HD12 ' CD1' ' A' ' 33' ' ' ILE . 9.1 mp -80.8 -26.06 37.42 Favored 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.739 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.53 78.03 9.28 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.675 1.226 . . . . 0.0 109.351 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.511 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 47.4 mt -74.11 -37.44 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.545 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.16 -11.71 59.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.186 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 58.87 5.56 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.523 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -112.95 -9.51 13.61 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.352 0.576 . . . . 0.0 110.762 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.3 -10.79 54.59 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.517 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.16 162.24 32.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.556 0.678 . . . . 0.0 111.671 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -97.97 105.94 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 49' ' ' ARG . 8.7 p30 -136.14 -178.31 5.09 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.629 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.78 -17.38 73.15 Favored Glycine 0 C--O 1.216 -0.98 0 CA-C-N 116.505 -0.316 . . . . 0.0 112.752 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 27.3 mmt180 -58.88 -41.83 88.03 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -69.18 -39.21 78.85 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.93 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 55' ' ' ILE . 39.0 tp -61.09 -43.51 98.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.923 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.1 mtt -64.92 -37.81 88.89 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.774 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 60.8 mm-40 -66.41 -40.44 89.59 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 175.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.56 -45.57 93.6 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.835 0.454 . . . . 0.0 110.207 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -57.08 -44.72 83.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.499 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 34.2 ttmt -54.24 -50.92 66.06 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.513 0.725 . . . . 0.0 111.028 174.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.7 mmmt -63.36 -55.49 24.08 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.097 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 18' ' ' ILE . 61.7 t -69.71 -33.1 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.356 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.648 -174.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 t -67.95 -35.81 79.02 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.284 0.564 . . . . 0.0 109.711 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -67.89 -43.36 79.5 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.451 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.06 -34.75 61.85 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.716 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.9 m 74.75 101.95 0.07 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.756 1.623 . . . . 0.0 111.581 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.425 -1.705 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 179.682 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.759 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.1 p -92.64 -5.8 50.71 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.064 0.459 . . . . 0.0 110.536 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.35 68.68 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 121.363 0.601 . . . . 0.0 110.528 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.9 t -102.58 168.59 9.18 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -90.47 75.73 6.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 122.527 1.156 . . . . 0.0 109.523 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.7 m -101.03 118.57 37.26 Favored 'General case' 0 C--N 1.269 -2.917 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.102 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 tt -123.47 109.45 23.37 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.3 mt -60.9 112.64 2.13 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.437 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.68 -21.72 11.26 Favored Glycine 0 N--CA 1.42 -2.368 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.519 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.476 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 20.7 t70 -113.66 89.44 3.09 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 122.88 1.324 . . . . 0.0 109.694 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.85 -36.54 42.19 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.857 -1.974 . . . . 0.0 112.263 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.98 -7.03 56.77 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.031 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.476 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.2 t70 65.09 64.27 0.64 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.307 1.051 . . . . 0.0 111.658 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -120.77 -1.15 10.02 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.31 1.03 69.7 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.734 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -150.46 143.71 17.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 117.894 0.847 . . . . 0.0 112.097 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 m -70.48 96.72 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-O 121.97 0.89 . . . . 0.0 109.774 171.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -125.67 177.97 5.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.262 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -62.39 -22.39 63.36 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.521 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.0 mmt180 -63.89 -34.47 78.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.038 0.535 . . . . 0.0 110.928 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.99 -38.57 82.83 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.129 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.45 HD12 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.46 -43.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 124.157 0.911 . . . . 0.0 110.487 174.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.59 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 17.8 t -61.36 -53.06 53.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.321 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 77.3 mmm -58.68 -42.16 87.88 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.833 0.853 . . . . 0.0 110.471 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.405 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.1 tpt -55.25 -57.93 9.79 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.64 -32.91 73.09 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.852 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.4 mm-40 -62.07 -58.55 7.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.242 0.544 . . . . 0.0 110.514 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.98 -43.62 92.02 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.879 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 21' ' ' MET . 90.8 mt -55.91 -33.94 65.12 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.601 0.76 . . . . 0.0 112.144 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.24 -14.32 59.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.06 10.92 29.12 Favored Glycine 0 N--CA 1.418 -2.555 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.1 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -88.99 149.69 23.15 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -92.12 111.47 23.04 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.56 121.94 40.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 t -75.87 127.96 34.11 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 34.59 25.42 Favored Glycine 0 N--CA 1.432 -1.577 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.618 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 38' ' ' LEU . 16.4 tt -108.58 143.57 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.63 98.04 11.54 Favored 'General case' 0 CA--C 1.485 -1.555 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -54.62 -31.48 57.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.831 0.852 . . . . 0.0 112.336 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -79.69 -17.93 52.48 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.208 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.61 59.05 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.521 0.2 . . . . 0.0 111.031 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 33' ' ' ILE . 9.2 mp -77.09 -26.92 53.93 Favored 'General case' 0 CA--C 1.483 -1.606 0 O-C-N 123.994 0.808 . . . . 0.0 111.303 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.36 76.1 8.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.922 1.344 . . . . 0.0 109.029 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.15 -33.9 36.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-N 112.625 -2.08 . . . . 0.0 111.97 -172.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -82.96 -10.52 58.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.106 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.06 58.5 7.35 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.939 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -114.84 -11.54 12.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.534 0.667 . . . . 0.0 111.522 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.49 -3.48 57.85 Favored Glycine 0 N--CA 1.438 -1.202 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.387 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.92 150.51 52.04 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 122.296 -0.532 . . . . 0.0 110.383 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -93.35 101.42 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.857 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -135.92 177.78 7.56 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.535 -172.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.91 -17.2 67.24 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.628 -0.26 . . . . 0.0 113.067 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.83 -40.43 95.27 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -70.03 -38.67 75.94 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.854 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 55' ' ' ILE . 39.3 tp -59.18 -45.69 90.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.641 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.52 -28.08 68.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.079 0.466 . . . . 0.0 111.521 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 27.0 mm-40 -71.72 -45.44 61.79 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.208 174.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.32 -47.25 84.32 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 124.121 0.888 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 51' ' ' LEU . 75.6 mt -56.78 -41.38 75.2 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.531 0 O-C-N 123.819 0.699 . . . . 0.0 109.349 176.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -59.71 -43.97 93.91 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.7 -49.58 61.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.443 0.697 . . . . 0.0 110.687 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.435 HG22 ' CD1' ' A' ' 18' ' ' ILE . 61.9 t -72.0 -31.43 40.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.061 -177.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -77.09 -13.85 59.89 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -84.69 -50.14 7.89 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' C ' ' HG1' ' A' ' 62' ' ' THR . 26.5 t-20 -85.26 -92.34 0.09 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.069 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.447 ' HG1' ' C ' ' A' ' 61' ' ' ASN . 86.5 m -164.38 146.1 8.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -175.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.432 -1.355 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.377 177.619 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.709 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 49.0 m -94.48 139.79 30.68 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . 0.413 ' C ' ' HG ' ' A' ' 0' ' ' SER . . . -82.41 64.9 7.28 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.939 0.876 . . . . 0.0 109.887 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' -1' ' ' ALA . 36.5 m -161.81 141.92 10.32 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 125.683 1.593 . . . . 0.0 106.76 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -124.4 83.35 2.14 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.6 m -101.18 140.09 35.96 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.724 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.0 tt -122.3 101.66 10.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 121.54 0.686 . . . . 0.0 109.894 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 70.6 mt -62.57 114.12 3.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.84 -23.88 9.84 Favored Glycine 0 N--CA 1.427 -1.925 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.411 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -111.49 88.3 2.76 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 122.695 1.236 . . . . 0.0 109.917 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.61 -37.69 41.76 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 113.208 -1.814 . . . . 0.0 112.2 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -85.26 -6.61 59.25 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.625 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.9 t70 60.76 63.39 1.32 Allowed 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.676 1.19 . . . . 0.0 111.736 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -118.63 -2.3 11.0 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.751 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.75 1.9 63.32 Favored Glycine 0 CA--C 1.505 -0.562 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.161 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 HG21 ' OD1' ' A' ' 61' ' ' ASN . 2.8 p -146.0 137.66 19.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 117.074 0.437 . . . . 0.0 111.141 -173.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 57' ' ' LYS . 11.5 m -78.14 96.59 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 121.963 0.887 . . . . 0.0 109.026 175.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' HB2' ' OXT' ' A' ' 63' ' ' SER . 37.0 p-10 -125.86 176.51 6.91 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.58 -172.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' HA2' HD11 ' A' ' 18' ' ' ILE . . . -61.16 -23.11 61.53 Favored Glycine 0 N--CA 1.478 1.434 0 CA-C-N 116.006 -0.543 . . . . 0.0 113.458 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.8 mmt180 -65.49 -31.81 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.746 0.418 . . . . 0.0 110.472 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -67.67 -37.73 82.78 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.317 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.474 HD11 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -54.0 -43.9 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.801 0.84 . . . . 0.0 110.376 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 15.0 t -59.46 -49.66 82.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.907 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.2 mmm -63.48 -40.72 97.86 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.055 0.847 . . . . 0.0 110.131 -177.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 tpt -54.05 -56.19 20.36 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.545 1.538 . . . . 0.0 108.641 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.79 -30.47 70.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.159 -1.382 . . . . 0.0 113.386 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.5 mm-40 -65.76 -54.8 22.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.962 0.411 . . . . 0.0 110.903 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -65.51 -41.32 93.29 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.019 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.95 -30.06 63.71 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.281 0.988 . . . . 0.0 111.732 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.65 -4.53 59.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.454 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.58 57.2 Favored Glycine 0 N--CA 1.427 -1.901 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.219 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -88.38 151.24 22.72 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 m -92.12 107.74 19.43 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -85.99 113.18 23.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 t -76.36 117.46 18.05 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.36 26.81 17.06 Favored Glycine 0 C--O 1.246 0.875 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.754 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.4 tt -107.54 149.43 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.289 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.29 100.19 12.82 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -61.79 -26.5 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -170.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -85.24 -11.14 55.54 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.957 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.21 -4.83 58.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.73 0.3 . . . . 0.0 111.115 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mp -82.01 -29.48 32.01 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.446 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.27 76.34 9.18 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 122.752 1.263 . . . . 0.0 109.346 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 43.8 mt -74.03 -33.3 35.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.893 -171.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.48 -11.35 54.49 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.077 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.2 59.05 7.79 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.883 -0.599 . . . . 0.0 113.764 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 p30 -114.36 -11.83 12.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 117.442 0.621 . . . . 0.0 111.345 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.24 -3.68 51.29 Favored Glycine 0 N--CA 1.433 -1.541 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.429 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.55 151.92 49.92 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 122.252 -0.558 . . . . 0.0 110.276 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.4 t -93.26 106.4 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.097 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -136.17 178.94 6.67 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.874 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -66.35 -18.74 67.81 Favored Glycine 0 C--O 1.221 -0.717 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.538 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -60.74 -37.44 81.79 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.77 -38.06 67.43 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.323 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 55' ' ' ILE . 43.1 tp -59.83 -43.36 94.62 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 123.973 0.795 . . . . 0.0 109.511 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 66.3 mtt -62.51 -40.58 97.2 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.734 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 44.4 mm-40 -65.34 -40.38 93.59 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.258 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.74 -46.62 88.85 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -55.6 -45.57 78.88 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.041 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.1 ttmt -53.78 -49.84 67.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.073 0.949 . . . . 0.0 111.254 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.1 mmmt -63.31 -55.53 23.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.696 0.799 . . . . 0.0 111.377 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 18' ' ' ILE . 89.6 t -65.97 -30.0 48.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 C-N-CA 124.322 1.049 . . . . 0.0 112.28 -176.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.0 t -70.3 -32.47 70.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.165 0.507 . . . . 0.0 110.313 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -80.84 -45.75 16.38 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 121.37 0.605 . . . . 0.0 110.572 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.448 ' OD1' HG21 ' A' ' 12' ' ' VAL . 2.4 t-20 -94.43 -163.79 1.09 Allowed 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.441 -173.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 m -78.57 108.68 12.14 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.069 0.547 . . . . 0.0 110.36 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.489 ' OXT' ' HB2' ' A' ' 14' ' ' ASN . 3.0 m . . . . . 0 C--O 1.255 1.344 0 O-C-N 123.874 0.734 . . . . 0.0 109.398 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.127 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.7 m 66.05 92.68 0.07 Allowed 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.819 1.248 . . . . 0.0 111.677 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -64.54 -41.56 96.27 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.4 t -93.29 106.52 18.47 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 171.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -61.73 -54.26 44.85 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.305 0.574 . . . . 0.0 109.595 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.0 m -107.53 116.47 32.0 Favored 'General case' 0 N--CA 1.395 -3.221 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.027 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 tt -125.03 106.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.32 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.918 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.21 111.89 1.51 Allowed 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.137 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.28 -22.7 8.84 Favored Glycine 0 N--CA 1.428 -1.893 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.413 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 22.8 t70 -114.9 87.77 2.72 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.032 1.396 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.95 -37.07 40.55 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.099 -173.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -87.13 -4.42 59.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.692 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 33.2 t70 63.71 63.15 0.87 Allowed 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.579 1.18 . . . . 0.0 111.578 177.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -122.59 -1.68 9.0 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.223 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.39 -1.59 73.0 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.384 -0.825 . . . . 0.0 115.042 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -146.82 144.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 117.678 0.739 . . . . 0.0 111.686 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -74.39 98.71 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-O 122.121 0.962 . . . . 0.0 110.584 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -125.99 174.38 8.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.773 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.484 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.77 -23.36 60.99 Favored Glycine 0 N--CA 1.471 0.998 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.52 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.4 mmt180 -63.86 -32.94 74.62 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.052 0.541 . . . . 0.0 110.264 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -68.31 -39.39 82.02 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.7 mp -51.44 -43.87 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.301 1.001 . . . . 0.0 110.786 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.647 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 5.5 t -62.96 -50.74 78.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.381 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -58.89 -42.05 88.64 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.943 0.897 . . . . 0.0 110.362 -178.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.423 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -54.47 -57.48 11.16 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 125.545 1.538 . . . . 0.0 108.755 177.045 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -61.48 -36.13 79.61 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.866 -1.515 . . . . 0.0 112.627 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.1 mm-40 -58.98 -56.73 18.49 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.128 0.489 . . . . 0.0 110.305 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.84 -42.42 94.94 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.57 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.28 -39.4 72.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.629 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.41 -25.11 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.936 0.398 . . . . 0.0 111.007 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.28 15.19 8.49 Favored Glycine 0 N--CA 1.426 -1.972 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.781 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -89.63 151.92 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.12 0.486 . . . . 0.0 110.375 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -92.13 108.91 20.29 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -95.24 111.39 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.48 117.11 17.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.5 6.94 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.42 ' CD1' HD13 ' A' ' 38' ' ' LEU . 16.6 tt -111.46 149.61 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -93.91 101.94 14.03 Favored 'General case' 0 CA--C 1.475 -1.938 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 168.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' HD11 ' A' ' 38' ' ' LEU . 35.4 ttpt -64.35 -15.58 60.63 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 123.789 0.68 . . . . 0.0 112.74 -172.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -89.16 -23.57 22.41 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.47 -7.07 57.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.306 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 33' ' ' ILE . 8.0 mp -76.34 -29.62 57.33 Favored 'General case' 0 C--O 1.19 -2.066 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.52 76.26 9.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.732 1.253 . . . . 0.0 109.682 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.4 mt -74.39 -35.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.038 -173.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -81.16 -11.76 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.226 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.52 59.09 5.92 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.55 -0.75 . . . . 0.0 114.11 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.24 -10.84 12.68 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.726 0.763 . . . . 0.0 111.343 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.39 -10.41 56.41 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.034 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.12 156.41 44.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.109 0.481 . . . . 0.0 111.062 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -94.37 105.47 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.206 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -136.04 176.9 8.27 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.907 -174.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.11 -15.55 67.61 Favored Glycine 0 C--O 1.222 -0.608 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.733 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -64.66 -41.46 96.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -68.72 -37.76 79.7 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.366 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 55' ' ' ILE . 35.1 tp -58.99 -45.84 89.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.087 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.47 -36.02 82.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -66.64 -40.2 88.61 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 123.516 0.51 . . . . 0.0 110.789 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.12 -45.24 92.93 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 122.422 0.289 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 51' ' ' LEU . 90.3 mt -57.64 -44.57 85.69 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -55.06 -44.54 74.83 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.46 1.104 . . . . 0.0 111.679 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmmt -66.58 -55.63 14.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.257 0.551 . . . . 0.0 111.08 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.412 HG22 ' CD1' ' A' ' 18' ' ' ILE . 58.8 t -69.78 -31.6 49.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.651 -175.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -72.21 -33.0 67.28 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -72.73 -43.31 63.11 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -67.44 -30.19 69.86 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.571 0.7 . . . . 0.0 110.213 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 m 79.83 -29.21 0.14 Allowed 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 126.872 2.069 . . . . 0.0 113.406 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.253 1.248 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.577 175.428 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.456 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 6.2 m -57.51 -25.68 60.2 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.778 1.631 . . . . 0.0 114.435 -173.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -80.22 -5.82 56.79 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.834 -0.541 . . . . 0.0 111.894 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.5 t -123.9 97.02 5.17 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -115.78 63.08 0.7 Allowed 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 m -126.23 130.5 51.05 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.258 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.7 tt -117.35 102.92 14.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-O 121.369 0.604 . . . . 0.0 109.441 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.13 119.81 8.56 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.921 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.62 -17.77 25.38 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -116.41 85.48 2.31 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 122.989 1.376 . . . . 0.0 110.104 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.78 -36.18 43.31 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 112.749 -2.023 . . . . 0.0 112.252 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -85.93 -1.85 57.7 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.835 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 58.72 62.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.723 1.264 . . . . 0.0 111.109 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -122.9 2.6 9.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.484 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.58 3.97 68.37 Favored Glycine 0 CA--C 1.508 -0.379 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -152.08 143.84 15.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 117.64 0.72 . . . . 0.0 111.601 -176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.61 101.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-O 122.414 1.102 . . . . 0.0 110.327 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -125.34 176.64 6.64 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.443 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.483 ' HA2' HD11 ' A' ' 18' ' ' ILE . . . -67.48 -22.07 72.93 Favored Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.887 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.5 mmt180 -62.38 -31.22 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 110.213 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.92 -40.26 75.67 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 mp -53.35 -43.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.191 0.996 . . . . 0.0 110.173 175.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.626 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -56.91 -53.63 40.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.549 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.2 mmm -59.32 -42.34 91.19 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.672 1.189 . . . . 0.0 110.426 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.452 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -53.24 -56.01 19.93 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 125.231 1.412 . . . . 0.0 109.365 177.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 81.8 mtp180 -67.45 -30.7 70.49 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.223 -1.353 . . . . 0.0 112.299 -174.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -61.52 -53.89 50.43 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.938 0.399 . . . . 0.0 110.056 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.86 -41.29 95.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.542 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 21' ' ' MET . 96.9 mt -57.13 -39.25 74.8 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.218 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.84 -22.75 60.74 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.141 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.14 22.89 7.98 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.501 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -95.51 156.32 16.37 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -87.44 115.61 24.98 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -91.07 117.83 35.1 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -75.29 120.35 20.65 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.761 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.05 46.19 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.737 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 38' ' ' LEU . 15.3 tt -100.13 145.68 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.33 100.42 13.01 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' HA ' HD11 ' A' ' 38' ' ' LEU . 34.1 ttmt -62.17 -16.76 55.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.33 0.652 . . . . 0.0 112.43 -172.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -84.76 -25.65 28.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.12 -5.44 57.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.116 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 33' ' ' ILE . 8.3 mp -75.44 -31.17 60.23 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 124.03 0.831 . . . . 0.0 110.889 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.07 76.29 10.26 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 122.593 1.187 . . . . 0.0 110.261 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt -74.39 -35.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 113.572 -1.649 . . . . 0.0 112.172 -174.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -79.19 -11.36 59.96 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.873 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.44 58.17 8.22 Favored Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.327 -0.851 . . . . 0.0 115.121 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.03 -17.97 11.34 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 117.887 0.843 . . . . 0.0 110.022 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.35 -11.54 54.66 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.833 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.36 34.64 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 117.377 0.588 . . . . 0.0 109.584 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 107.89 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.122 0 CA-C-O 121.894 0.854 . . . . 0.0 108.723 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -135.5 172.78 12.52 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.488 -172.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.57 -17.66 64.84 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.802 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -62.8 -39.23 93.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -68.88 -40.43 79.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.219 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 55' ' ' ILE . 37.1 tp -58.28 -45.69 87.42 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.908 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.9 -33.77 76.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.598 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 50.5 mm-40 -66.83 -40.28 87.92 Favored 'General case' 0 C--O 1.205 -1.238 0 O-C-N 123.245 0.341 . . . . 0.0 110.327 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.146 0.579 . . . . 0.0 110.911 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 51' ' ' LEU . 93.5 mt -59.19 -40.17 80.44 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.299 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.118 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.9 tttt -61.32 -42.58 98.91 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.005 1.322 . . . . 0.0 111.274 175.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.3 mmmt -62.86 -50.96 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 110.448 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' A' ' 61' ' ' ASN . 40.6 t -76.22 -16.7 15.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 122.151 0.977 . . . . 0.0 110.789 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.28 -32.59 70.45 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -84.52 -52.68 5.96 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.21 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.585 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.8 t30 -113.32 106.83 15.08 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 176.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.0 t -102.59 135.58 43.96 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 119.226 -0.989 . . . . 0.0 112.41 -175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.429 -1.476 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.976 175.444 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.374 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.1 m -83.94 -32.51 25.03 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 117.45 0.625 . . . . 0.0 112.425 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 61.59 31.26 18.81 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.327 1.061 . . . . 0.0 109.538 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.9 t -156.66 149.51 23.81 Favored 'General case' 0 N--CA 1.423 -1.812 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.4 70.39 10.64 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.908 0.861 . . . . 0.0 108.716 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.3 m -125.07 115.35 20.36 Favored 'General case' 0 N--CA 1.403 -2.785 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.588 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 tt -116.03 107.66 23.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.93 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.4 mt -63.09 112.53 2.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.183 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.6 -24.11 7.71 Favored Glycine 0 N--CA 1.417 -2.598 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.405 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 3.1 t70 -113.27 93.14 4.27 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-O 122.435 1.112 . . . . 0.0 109.91 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 7.9 mp -78.68 -31.7 46.78 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 113.68 -1.6 . . . . 0.0 112.795 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -92.75 -5.7 50.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.448 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 57.28 62.52 2.16 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 123.084 1.421 . . . . 0.0 111.637 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -111.23 -15.36 13.66 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.354 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.04 10.97 55.7 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 115.059 0.784 . . . . 0.0 115.059 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -156.54 124.83 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.509 0 CA-C-O 121.436 0.636 . . . . 0.0 110.893 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.24 97.32 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 CA-C-O 121.373 0.606 . . . . 0.0 111.71 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -126.16 -168.04 1.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.744 -0.598 . . . . 0.0 110.826 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.73 -24.53 72.76 Favored Glycine 0 C--O 1.224 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 114.289 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 20' ' ' MET . 39.0 mmt180 -63.41 -32.69 74.19 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-O 120.825 0.345 . . . . 0.0 111.046 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 6' ' ' ASP . 14.9 m-20 -67.08 -43.12 83.38 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.248 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 58' ' ' VAL . 1.7 mp -52.13 -43.94 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.434 1.093 . . . . 0.0 110.707 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.0 t -60.73 -55.21 26.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.789 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.608 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 68.6 mmm -58.03 -40.42 80.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.946 0.898 . . . . 0.0 110.402 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.414 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.3 tpt -54.33 -56.84 14.48 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 109.089 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -67.47 -28.13 67.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.878 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 26.8 mm-40 -64.5 -52.54 57.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.27 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -65.63 -41.75 92.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.819 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 21' ' ' MET . 94.2 mt -60.57 -25.02 65.88 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.238 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.59 -9.06 53.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.145 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 24.46 35.22 Favored Glycine 0 N--CA 1.435 -1.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.285 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.03 153.54 18.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -84.68 115.29 22.59 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.99 117.68 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 t -75.84 126.5 31.12 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.112 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.17 34.08 64.66 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.89 -0.596 . . . . 0.0 113.244 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.9 tt -98.93 149.52 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.843 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -96.55 97.79 9.68 Favored 'General case' 0 N--CA 1.418 -2.049 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -58.39 -21.71 51.34 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 124.326 1.051 . . . . 0.0 112.226 -173.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.74 -21.01 28.45 Favored 'General case' 0 N--CA 1.437 -1.099 0 O-C-N 122.181 -0.324 . . . . 0.0 110.505 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.74 -3.91 58.2 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 120.875 0.369 . . . . 0.0 111.433 -174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 7' ' ' LEU . 9.0 mp -77.6 -31.72 53.17 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.834 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -83.93 77.84 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.788 1.28 . . . . 0.0 110.375 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 46.1 mt -74.66 -36.12 39.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 112.972 -1.922 . . . . 0.0 111.824 -174.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -81.43 -8.7 59.77 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.479 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.77 7.59 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.935 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -114.49 -13.29 12.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.566 0.683 . . . . 0.0 111.048 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.09 -10.74 57.03 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 116.031 -0.532 . . . . 0.0 113.001 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 155.92 39.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -98.28 105.22 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.952 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.13 178.84 6.74 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.122 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.97 69.53 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 116.65 -0.25 . . . . 0.0 112.841 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.64 -40.99 89.47 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.548 0.739 . . . . 0.0 109.07 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -71.18 -39.13 72.03 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.7 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 55' ' ' ILE . 41.1 tp -59.22 -42.98 92.26 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.806 0.692 . . . . 0.0 109.992 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.3 mtt -65.54 -36.47 83.91 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.313 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 22.6 mm-40 -69.14 -35.6 76.55 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.12 -46.66 76.77 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -57.44 -41.64 79.07 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.9 tttt -54.35 -52.7 60.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.318 1.047 . . . . 0.0 111.137 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.4 mmmt -60.95 -54.74 41.34 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.377 0.608 . . . . 0.0 111.308 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 18' ' ' ILE . 88.5 t -69.22 -30.12 45.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 C-N-CA 124.114 0.965 . . . . 0.0 113.221 -174.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 m -79.01 -28.55 43.37 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.992 177.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -73.9 -46.38 44.93 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -76.91 158.34 30.77 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.349 -0.842 . . . . 0.0 108.973 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.3 m -78.12 100.55 6.61 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.193 0.52 . . . . 0.0 110.378 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.295 -1.763 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.533 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.716 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 48.8 m -119.05 118.33 31.15 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 117.169 0.485 . . . . 0.0 110.715 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -95.96 41.03 1.11 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.5 p -72.2 126.24 29.3 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.815 -174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -90.67 72.01 6.75 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.2 m -95.95 118.94 33.55 Favored 'General case' 0 N--CA 1.41 -2.467 0 CA-C-N 113.298 -1.773 . . . . 0.0 109.555 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 tt -116.93 103.15 14.59 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.233 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.19 112.96 1.91 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.663 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.03 -21.55 12.11 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.721 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 19.8 t70 -115.76 89.69 3.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 122.725 1.25 . . . . 0.0 109.157 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.68 -37.06 42.67 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 113.064 -1.88 . . . . 0.0 112.015 -172.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -88.71 -3.34 58.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.586 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 30.7 t70 60.13 64.3 1.27 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 124.398 1.061 . . . . 0.0 111.534 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -120.26 -0.18 10.5 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 4.56 66.01 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 114.544 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 p -153.2 141.06 13.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 117.407 0.603 . . . . 0.0 111.816 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.33 99.98 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-O 121.642 0.734 . . . . 0.0 109.284 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.602 ' HA ' ' O ' ' A' ' 62' ' ' THR . 27.2 p30 -125.82 179.6 5.11 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.168 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 18' ' ' ILE . . . -65.1 -22.97 69.36 Favored Glycine 0 CA--C 1.523 0.551 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.102 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.3 mmt180 -63.32 -32.08 73.4 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.146 0.578 . . . . 0.0 110.014 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -66.84 -39.87 87.78 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.607 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.441 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.6 mp -52.55 -43.13 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.331 1.052 . . . . 0.0 110.293 175.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.4 t -59.63 -54.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.708 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.4 mmm -60.58 -40.65 92.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.121 0.968 . . . . 0.0 110.597 -176.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 tpt -54.8 -56.52 18.46 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 125.208 1.403 . . . . 0.0 108.997 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.64 -29.0 70.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.029 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 82.0 mm-40 -64.77 -57.36 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.03 -40.44 96.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.229 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.92 -29.22 68.22 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.822 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.32 -3.65 58.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.08 23.88 50.4 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.813 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -90.18 156.61 18.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.1 m -90.69 113.36 25.42 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 t -100.86 115.9 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.148 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -173.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -75.27 128.7 36.02 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.67 32.5 41.21 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.805 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.416 ' CD1' HD11 ' A' ' 38' ' ' LEU . 15.3 tt -105.61 143.76 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.415 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -91.58 98.49 11.69 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 169.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.94 -17.01 55.39 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 123.883 0.873 . . . . 0.0 112.385 -172.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.34 -25.7 22.61 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.89 -5.61 46.87 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.101 0.56 . . . . 0.0 111.717 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 33' ' ' ILE . 8.5 mp -78.85 -20.0 50.64 Favored 'General case' 0 CA--C 1.478 -1.814 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -92.0 74.38 5.57 Favored 'General case' 0 N--CA 1.417 -2.119 0 CA-C-O 122.725 1.25 . . . . 0.0 109.641 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mt -74.25 -34.3 36.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 CA-C-N 112.996 -1.911 . . . . 0.0 111.255 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -81.26 -8.91 59.83 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.65 54.99 32.49 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-N 115.532 -0.758 . . . . 0.0 113.849 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -114.72 -19.43 11.06 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.149 0.474 . . . . 0.0 111.613 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.77 5.37 47.9 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 120.637 -0.792 . . . . 0.0 114.05 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.81 132.72 21.31 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 117.388 0.594 . . . . 0.0 109.771 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.59 109.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -135.86 -179.48 5.68 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.991 -174.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.91 -14.84 61.63 Favored Glycine 0 C--O 1.225 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.637 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.1 mtm180 -71.15 -32.19 68.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.98 -37.99 64.29 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 55' ' ' ILE . 33.8 tp -58.33 -44.96 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.207 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.51 -39.04 86.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.021 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 38.2 mm-40 -64.25 -43.73 93.98 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.084 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.04 -47.08 88.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.038 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 51' ' ' LEU . 84.3 mt -56.63 -41.3 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 20.0 ttmm -58.98 -50.1 75.38 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.27 0.628 . . . . 0.0 111.372 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -61.18 -52.55 64.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.646 0.736 . . . . 0.0 110.261 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG11 ' O ' ' A' ' 62' ' ' THR . 63.6 t -68.71 -39.38 80.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 CA-C-N 114.811 -1.086 . . . . 0.0 113.436 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.3 m -75.47 -14.81 60.45 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.242 0.544 . . . . 0.0 111.495 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -97.92 -32.04 11.88 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.756 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -107.61 -71.15 0.77 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -173.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.602 ' O ' ' HA ' ' A' ' 14' ' ' ASN . 86.0 m -148.87 131.61 15.99 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 118.802 0.728 . . . . 0.0 111.429 -176.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.434 -1.25 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 176.524 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.193 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.0 p -91.19 -18.35 24.59 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -83.64 105.57 14.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.779 0.323 . . . . 0.0 110.373 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 37.2 m -83.05 67.9 9.31 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.976 0.893 . . . . 0.0 110.652 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -153.4 17.6 0.54 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.3 m -124.71 128.75 49.27 Favored 'General case' 0 N--CA 1.419 -1.985 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.869 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tt -105.16 101.91 13.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-O 121.627 0.727 . . . . 0.0 110.133 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.9 mt -64.94 124.06 21.05 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.457 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.66 -16.12 37.42 Favored Glycine 0 N--CA 1.431 -1.663 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 25.0 t70 -117.88 87.1 2.65 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 122.794 1.283 . . . . 0.0 110.321 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.82 -34.04 45.61 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 112.976 -1.92 . . . . 0.0 113.075 -172.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.59 9.83 40.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.729 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.297 4.0 p-10 47.52 60.6 3.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 126.327 1.851 . . . . 0.0 113.515 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -117.72 6.26 12.36 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.373 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.3 78.39 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 115.517 0.967 . . . . 0.0 115.517 170.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.31 150.28 10.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 117.561 0.68 . . . . 0.0 110.755 -175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -78.98 99.35 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 122.118 0.961 . . . . 0.0 110.157 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -125.65 177.65 6.12 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.581 -177.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -62.58 -23.7 65.27 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-O 121.188 0.327 . . . . 0.0 113.223 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' O ' ' HG2' ' A' ' 20' ' ' MET . 26.7 mmt180 -63.12 -31.91 73.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 123.543 0.737 . . . . 0.0 111.537 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -68.39 -39.14 81.8 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -53.07 -43.74 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 110.267 175.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -59.66 -55.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.299 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -57.9 -41.65 83.07 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 124.177 0.923 . . . . 0.0 110.552 -177.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -57.45 11.71 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.34 1.456 . . . . 0.0 109.267 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.47 -35.48 74.17 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.718 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 10.3 mm-40 -60.63 -58.43 8.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.827 0.704 . . . . 0.0 110.428 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.06 -41.14 95.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.011 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.03 -33.31 67.06 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.297 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.33 -14.55 55.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.61 15.97 25.63 Favored Glycine 0 N--CA 1.431 -1.645 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.958 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -88.6 149.79 23.38 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.132 0.491 . . . . 0.0 109.838 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 m -88.63 106.84 18.58 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.87 110.65 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -174.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 121.37 22.27 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 34.24 18.34 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.424 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.9 tt -106.74 146.83 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.02 96.51 10.4 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 38' ' ' LEU . 23.0 ttpp -61.6 -21.02 63.98 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.711 0.632 . . . . 0.0 112.452 -170.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -77.31 -29.45 53.64 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.123 0.569 . . . . 0.0 109.921 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.34 -4.51 48.43 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 35' ' ' LYS . 8.1 mp -79.27 -25.95 42.42 Favored 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.59 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -87.22 77.08 9.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 122.879 1.323 . . . . 0.0 109.519 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.0 mt -73.93 -36.45 45.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 112.974 -1.921 . . . . 0.0 111.994 -172.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.64 -10.12 59.49 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.332 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.4 59.03 6.01 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.815 -0.63 . . . . 0.0 114.403 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -114.74 -12.71 12.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.467 0.634 . . . . 0.0 111.555 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 -9.71 55.11 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.416 -0.421 . . . . 0.0 113.424 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.5 152.15 50.97 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.027 0.441 . . . . 0.0 110.666 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.03 106.7 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.254 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -135.5 174.72 10.3 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.685 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.58 -15.89 64.69 Favored Glycine 0 C--O 1.221 -0.675 0 C-N-CA 121.618 -0.325 . . . . 0.0 113.33 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -63.49 -39.8 95.4 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -67.67 -39.16 84.52 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.543 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 55' ' ' ILE . 31.1 tp -59.76 -45.64 91.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.932 176.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.0 mtt -67.6 -27.76 67.18 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.554 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -69.02 -48.1 63.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.44 -47.64 81.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.041 0.936 . . . . 0.0 112.013 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 51' ' ' LEU . 57.2 mt -54.83 -45.39 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 32.4 ttpt -57.21 -50.54 72.54 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.47 0.481 . . . . 0.0 111.199 175.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -57.69 -55.78 30.38 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 123.899 0.749 . . . . 0.0 109.849 -177.441 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.25 -38.69 81.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.258 -174.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.3 m -71.94 -30.89 65.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.19 0.519 . . . . 0.0 110.912 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -79.37 -33.23 43.08 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.009 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -77.91 -94.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.2 m -170.57 141.94 1.97 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.919 0.887 . . . . 0.0 110.002 -175.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.314 -0.955 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 169.44 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.11 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.8 t -75.73 134.92 40.37 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 69.9 -64.42 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.867 1.667 . . . . 0.0 110.907 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.9 m -155.43 -64.42 0.12 Allowed 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 175.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 45.89 60.18 3.3 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 125.3 1.44 . . . . 0.0 112.027 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.6 m -124.59 126.79 46.37 Favored 'General case' 0 N--CA 1.405 -2.721 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 tt -92.36 100.4 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.021 0 CA-C-O 122.188 0.995 . . . . 0.0 109.602 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 55.6 mt -66.32 110.67 3.15 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.575 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.13 -15.86 10.88 Favored Glycine 0 N--CA 1.425 -2.039 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.499 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 16.5 t70 -117.07 86.67 2.55 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 123.023 1.392 . . . . 0.0 109.958 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.54 -33.74 47.63 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 112.754 -2.021 . . . . 0.0 112.513 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.37 8.27 41.13 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.499 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.358 6.5 p-10 45.59 62.07 2.35 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.625 1.97 . . . . 0.0 114.156 177.522 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -111.69 -4.81 14.58 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.075 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.25 3.79 58.68 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.523 -0.762 . . . . 0.0 114.304 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -151.17 144.88 16.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 117.536 0.668 . . . . 0.0 111.183 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -75.81 100.08 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 62' ' ' THR . 36.0 p-10 -126.74 177.7 6.39 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.83 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.445 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -63.62 -23.17 66.75 Favored Glycine 0 N--CA 1.471 0.983 0 CA-C-N 116.393 -0.367 . . . . 0.0 113.698 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.8 mmt180 -65.18 -30.41 71.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.444 0.298 . . . . 0.0 110.509 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.88 -39.06 83.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.445 HD12 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.45 -45.3 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 110.376 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.64 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 16.8 t -60.06 -52.17 64.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.59 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.3 mmm -60.4 -40.56 91.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.816 0.846 . . . . 0.0 110.415 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.37 -56.59 19.28 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 125.071 1.348 . . . . 0.0 108.638 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.52 -32.27 72.31 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.37 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.8 mm-40 -62.89 -55.57 24.91 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 178.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.41 -40.95 94.03 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 -177.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.72 -27.68 65.11 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.674 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.79 -4.2 59.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.08 0.467 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.25 17.61 62.3 Favored Glycine 0 N--CA 1.432 -1.58 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.914 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -85.4 150.85 24.44 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.2 m -86.31 107.61 18.05 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.03 112.9 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -173.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -76.86 116.97 18.01 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.141 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.94 34.13 7.42 Favored Glycine 0 N--CA 1.431 -1.661 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.568 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.442 ' CD1' HD12 ' A' ' 38' ' ' LEU . 16.4 tt -110.98 145.48 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -90.73 99.23 12.3 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.446 -2.428 . . . . 0.0 104.446 172.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -58.9 -25.71 63.64 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.641 0.776 . . . . 0.0 111.804 -171.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -75.96 -29.67 58.35 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.104 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -4.08 43.4 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -172.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 33' ' ' ILE . 8.6 mp -79.65 -27.24 40.89 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.329 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.04 77.89 7.55 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 122.443 1.116 . . . . 0.0 108.709 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.498 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.9 mt -74.06 -35.67 42.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 113.112 -1.858 . . . . 0.0 112.33 -171.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -84.92 -8.65 58.67 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.61 57.66 8.74 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.607 -0.724 . . . . 0.0 114.25 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -115.28 -7.89 12.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 117.948 0.874 . . . . 0.0 112.115 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.33 60.78 Favored Glycine 0 N--CA 1.44 -1.042 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.252 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.72 148.14 52.33 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.07 103.19 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -134.89 177.56 7.71 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.947 -172.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.78 -18.76 62.22 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.2 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.544 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.1 mtt180 -63.52 -38.26 90.46 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -72.01 -36.3 69.67 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.367 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 55' ' ' ILE . 44.5 tp -61.41 -46.08 91.61 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.246 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.95 -33.38 75.89 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 19.4 mm-40 -64.18 -49.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.99 -47.9 81.62 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.215 1.006 . . . . 0.0 111.506 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -54.42 -46.73 70.5 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -59.58 -41.08 89.4 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.629 0.772 . . . . 0.0 112.722 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.47 -52.88 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 0.0 109.704 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 62' ' ' THR . 75.6 t -69.22 -35.94 70.36 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 C-N-CA 124.871 1.268 . . . . 0.0 113.685 -175.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.5 p -68.07 -33.88 75.38 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.514 0.673 . . . . 0.0 110.216 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -78.38 -48.58 15.22 Favored 'General case' 0 N--CA 1.424 -1.744 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -94.91 -89.16 0.24 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.486 ' O ' HG13 ' A' ' 58' ' ' VAL . 37.7 m -128.24 142.38 51.18 Favored 'General case' 0 C--O 1.202 -1.436 0 O-C-N 122.118 -0.364 . . . . 0.0 110.507 -170.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.494 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.6 tt . . . . . 0 N--CA 1.431 -1.382 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 48.2 mt -64.45 115.71 5.4 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.26 -18.76 15.56 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.447 ' HB3' HG23 ' A' ' 3' ' ' ILE . 16.8 t70 -116.02 87.71 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 122.841 1.305 . . . . 0.0 110.574 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.403 HD21 ' HE3' ' A' ' 21' ' ' MET . 7.4 mp -79.28 -36.09 40.3 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 112.804 -1.998 . . . . 0.0 112.862 -173.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.23 -1.74 58.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t70 59.92 62.11 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.116 1.366 . . . . 0.0 111.078 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -119.13 -2.45 10.73 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.11 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.23 12.21 63.63 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.655 -0.702 . . . . 0.0 114.071 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -152.87 141.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-N 117.285 0.543 . . . . 0.0 111.287 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.22 97.38 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 CA-C-O 121.525 0.679 . . . . 0.0 109.702 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -126.73 173.97 9.11 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.51 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.22 -16.23 57.65 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 113.828 -178.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.2 mmt180 -72.99 -25.59 61.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -70.24 -37.24 74.92 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -53.5 -44.19 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.534 1.134 . . . . 0.0 110.231 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.668 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 25.5 t -57.06 -53.94 36.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.97 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.0 mmm -59.92 -41.85 92.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.442 1.097 . . . . 0.0 110.412 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.563 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -54.15 -58.28 7.96 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 125.326 1.451 . . . . 0.0 108.949 176.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.03 -31.57 71.98 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.597 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 28.7 mm-40 -62.46 -56.5 17.57 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.58 -42.23 91.96 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.928 -176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 21' ' ' MET . 91.7 mt -56.28 -39.95 73.49 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.979 0.799 . . . . 0.0 111.245 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.73 -18.95 60.93 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.914 0.485 . . . . 0.0 111.431 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.41 19.96 10.81 Favored Glycine 0 N--CA 1.415 -2.723 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.88 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.71 152.96 21.74 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -93.14 110.71 22.21 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.15 110.73 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.301 -171.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -76.15 124.38 27.34 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.74 24.41 27.98 Favored Glycine 0 CA--C 1.498 -1.019 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.51 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 tt -102.91 153.28 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.808 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.66 97.0 8.65 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.2 ttpt -63.59 -16.81 61.89 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -86.78 -21.74 26.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.01 -4.81 54.17 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.579 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.3 mp -77.98 -28.45 49.33 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.273 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -86.39 78.15 9.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.644 1.212 . . . . 0.0 109.747 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.6 mt -74.68 -36.37 40.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 CA-C-N 113.192 -1.822 . . . . 0.0 112.314 -173.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -81.53 -10.79 59.38 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.527 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.82 58.66 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.918 -0.583 . . . . 0.0 114.155 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -114.64 -10.51 12.48 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 122.439 -0.448 . . . . 0.0 111.053 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.65 -3.72 61.21 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 116.107 -0.497 . . . . 0.0 113.246 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.99 149.72 52.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.835 0.35 . . . . 0.0 110.738 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.58 105.56 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -135.83 177.28 7.95 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.83 -174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -68.45 -18.08 71.28 Favored Glycine 0 C--O 1.217 -0.938 0 C-N-CA 121.729 -0.272 . . . . 0.0 112.638 -177.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 28.0 mmm180 -59.89 -41.21 91.13 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -69.57 -37.12 76.86 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.028 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD13 ' HG2' ' A' ' 21' ' ' MET . 28.3 tp -59.61 -44.93 93.26 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.525 176.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 91.2 mtp -65.62 -36.74 84.58 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.154 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 60.8 mm-40 -65.87 -38.96 90.18 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 122.899 0.48 . . . . 0.0 110.486 174.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.02 -47.23 81.08 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.308 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.6 mt -55.88 -41.64 67.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.8 ttmt -55.9 -50.53 70.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.231 175.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.8 mmmt -64.01 -52.72 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.717 0.77 . . . . 0.0 111.069 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 18' ' ' ILE . 75.0 t . . . . . 0 C--N 1.294 -1.813 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.909 -175.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.4 tt . . . . . 0 N--CA 1.43 -1.461 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.39 113.42 2.91 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.475 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.62 -16.59 21.36 Favored Glycine 0 N--CA 1.427 -1.917 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.975 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.425 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.7 t0 -118.87 87.97 2.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.897 1.332 . . . . 0.0 109.764 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 17' ' ' ASP . 6.8 mp -78.79 -37.0 42.0 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 112.865 -1.971 . . . . 0.0 111.8 -172.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -87.32 -4.1 59.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.468 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 57.97 62.67 1.99 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.907 1.283 . . . . 0.0 111.383 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -115.4 -6.13 12.31 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.763 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.82 53.08 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.725 -0.671 . . . . 0.0 114.772 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 p -156.23 149.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.74 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -78.34 97.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 122.036 0.922 . . . . 0.0 109.913 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -126.04 176.32 7.1 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.031 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.46 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.3 -21.67 64.52 Favored Glycine 0 N--CA 1.472 1.076 0 N-CA-C 113.708 0.243 . . . . 0.0 113.708 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -63.15 -32.14 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.485 0.714 . . . . 0.0 110.704 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' HB3' HD13 ' A' ' 7' ' ' LEU . 55.2 m-20 -69.47 -38.95 77.94 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.942 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.46 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -53.12 -42.39 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.228 1.011 . . . . 0.0 110.442 175.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.619 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 24.3 t -60.48 -52.7 58.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.81 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 69.6 mmm -62.13 -38.8 90.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.77 0.828 . . . . 0.0 110.598 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.564 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -54.61 -56.54 17.96 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 125.4 1.48 . . . . 0.0 108.971 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -63.76 -33.92 76.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.284 -1.325 . . . . 0.0 112.841 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.5 mm-40 -59.61 -57.37 13.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.354 0.597 . . . . 0.0 110.285 177.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -66.37 -41.42 89.48 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.954 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.46 -33.32 67.83 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.781 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.81 -1.88 48.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.039 0.447 . . . . 0.0 111.234 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.01 18.69 57.46 Favored Glycine 0 N--CA 1.43 -1.739 0 CA-C-N 116.161 -0.472 . . . . 0.0 113.155 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -89.08 154.52 20.11 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.002 0.43 . . . . 0.0 110.669 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m -90.61 113.74 25.85 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.74 115.91 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 p -76.25 117.51 18.01 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.2 34.11 13.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.134 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt -103.7 146.29 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -89.78 97.84 11.42 Favored 'General case' 0 CA--C 1.482 -1.651 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -53.03 -28.6 25.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.051 0.94 . . . . 0.0 112.753 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -86.06 -18.75 31.58 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -173.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.24 -9.08 59.06 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 7' ' ' LEU . 7.8 mp -77.03 -25.75 52.94 Favored 'General case' 0 C--O 1.199 -1.579 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.721 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.27 76.09 9.22 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 122.995 1.378 . . . . 0.0 109.67 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -75.0 -34.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.202 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -82.74 -8.87 59.56 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.96 58.42 6.8 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 114.924 0.73 . . . . 0.0 114.924 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -115.19 -18.22 11.19 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 117.128 0.464 . . . . 0.0 111.255 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.9 -1.14 51.79 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 121.303 -0.475 . . . . 0.0 113.486 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.26 152.2 51.93 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 122.486 -0.42 . . . . 0.0 110.18 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.68 105.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -135.47 175.98 9.09 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.05 -20.89 69.35 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-N 116.55 -0.295 . . . . 0.0 112.444 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -60.55 -40.12 90.4 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.05 0.54 . . . . 0.0 109.808 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -69.42 -39.69 77.71 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.884 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD13 ' HG2' ' A' ' 21' ' ' MET . 37.2 tp -58.39 -44.79 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.593 175.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.13 -40.58 94.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.524 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 68.0 mm-40 -64.73 -40.9 96.1 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 176.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.24 -47.03 84.19 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 122.804 0.442 . . . . 0.0 110.824 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.19 -40.81 82.01 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -58.18 -43.08 87.33 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.358 1.063 . . . . 0.0 111.523 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.8 mmmt -68.1 -49.56 60.45 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.845 0.458 . . . . 0.0 110.893 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG21 ' CD1' ' A' ' 18' ' ' ILE . 69.9 t . . . . . 0 C--N 1.311 -1.086 0 C-N-CA 123.787 0.835 . . . . 0.0 112.302 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.6 tt . . . . . 0 N--CA 1.416 -2.126 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.43 118.47 5.2 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.978 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.85 -20.85 23.89 Favored Glycine 0 N--CA 1.424 -2.122 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.288 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 3' ' ' ILE . 4.0 t70 -111.81 93.04 4.26 Favored 'General case' 0 N--CA 1.414 -2.263 0 CA-C-O 122.211 1.005 . . . . 0.0 109.569 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.404 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 7.1 mp -79.25 -35.77 40.94 Favored 'General case' 0 C--N 1.279 -2.47 0 CA-C-N 113.804 -1.544 . . . . 0.0 112.537 -173.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -90.46 -3.29 57.75 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.501 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 t0 58.49 64.42 1.47 Allowed 'General case' 0 C--O 1.242 0.664 0 CA-C-O 122.562 1.172 . . . . 0.0 112.344 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.0 p30 -118.87 -6.3 10.55 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.877 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.24 10.8 70.58 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 115.083 0.793 . . . . 0.0 115.083 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.35 124.8 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.57 0 CA-C-O 121.247 0.546 . . . . 0.0 110.793 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 57' ' ' LYS . 22.3 m -70.87 97.86 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 CA-C-O 121.654 0.74 . . . . 0.0 110.133 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.71 -171.09 2.33 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.54 -24.24 70.87 Favored Glycine 0 C--N 1.313 -0.75 0 CA-C-N 115.656 -0.702 . . . . 0.0 114.447 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.0 mmt180 -65.78 -29.67 70.2 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 117.326 0.563 . . . . 0.0 110.083 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.17 -41.99 76.46 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.43 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.8 -42.35 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.703 1.201 . . . . 0.0 110.566 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.627 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.6 t -62.93 -53.02 52.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.909 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 75.6 mmm -60.16 -38.25 82.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.833 0.853 . . . . 0.0 110.749 -177.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.54 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.9 tpt -55.62 -56.56 18.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 124.967 1.307 . . . . 0.0 108.859 177.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.63 -29.38 70.39 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.582 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.5 mm-40 -62.78 -57.75 9.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.025 0.44 . . . . 0.0 109.839 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.84 -42.86 94.58 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.642 -176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.112 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.56 -11.98 60.61 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 120.844 0.354 . . . . 0.0 111.481 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 22.56 18.56 Favored Glycine 0 N--CA 1.424 -2.164 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -96.77 151.17 19.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.6 m -91.17 113.03 25.19 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.92 114.43 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -174.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -76.42 120.25 21.4 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.588 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.27 17.31 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.5 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -102.35 144.45 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.94 96.39 10.66 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.4 ttmt -55.79 -31.5 62.67 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -170.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -78.64 -15.86 58.01 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.96 -5.07 58.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.963 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.1 mp -80.75 -27.14 36.91 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.333 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.44 77.34 9.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.805 1.288 . . . . 0.0 109.658 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -74.35 -36.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.084 -173.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -81.15 -11.55 59.43 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.539 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.78 58.33 5.85 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.268 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -114.57 -14.39 12.09 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.142 -0.622 . . . . 0.0 110.736 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.12 -11.22 55.43 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.407 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 154.68 41.92 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 117.29 0.545 . . . . 0.0 110.405 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -95.0 105.27 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -135.71 178.44 7.04 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.26 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.91 68.8 Favored Glycine 0 C--O 1.224 -0.519 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.725 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -65.66 -39.95 91.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.74 -40.57 84.16 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.427 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.54 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.1 tp -57.39 -46.95 82.89 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.072 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.2 mtt -66.94 -31.54 72.19 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.191 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.0 mm-40 -68.22 -41.04 81.87 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.73 -45.76 91.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.337 0.655 . . . . 0.0 111.156 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.4 mt -59.85 -43.21 91.44 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.48 -47.67 72.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.057 0.943 . . . . 0.0 111.49 173.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.2 mmmt -60.22 -54.23 48.27 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.462 0.705 . . . . 0.0 110.643 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.412 HG21 ' CD1' ' A' ' 18' ' ' ILE . 47.2 t . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.694 -174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.1 tt . . . . . 0 N--CA 1.41 -2.433 0 CA-C-O 122.345 1.069 . . . . 0.0 108.483 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.0 mt -67.25 109.58 3.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.287 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.6 -14.88 9.19 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.698 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.487 ' HB3' HG23 ' A' ' 3' ' ' ILE . 16.0 t0 -119.0 85.07 2.3 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 123.099 1.428 . . . . 0.0 110.367 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.94 -33.66 45.16 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.359 -2.2 . . . . 0.0 111.98 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -89.53 -2.24 58.29 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.662 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.14 63.39 1.91 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.537 1.135 . . . . 0.0 111.748 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -120.9 1.41 10.44 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.681 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.03 61.96 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.89 147.34 13.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 117.363 0.581 . . . . 0.0 111.659 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.52 100.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 CA-C-O 121.994 0.902 . . . . 0.0 109.095 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -126.11 174.68 8.3 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.921 -177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.65 -19.42 62.72 Favored Glycine 0 N--CA 1.464 0.56 0 CA-C-N 116.494 -0.321 . . . . 0.0 113.843 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.3 mmt180 -66.43 -32.06 73.21 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -67.59 -38.75 84.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.744 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -53.47 -44.38 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.182 0.993 . . . . 0.0 110.234 174.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.649 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 26.5 t -58.52 -54.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.67 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.5 mmm -57.99 -41.31 82.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.236 1.015 . . . . 0.0 110.684 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.538 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.79 -57.36 11.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.479 1.512 . . . . 0.0 108.994 177.714 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -64.59 -30.81 71.84 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.75 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -62.81 -56.78 14.41 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 123.262 0.351 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -63.99 -43.49 95.54 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.566 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.54 -33.55 71.55 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.061 0.851 . . . . 0.0 112.243 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.48 59.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.808 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.5 14.33 8.97 Favored Glycine 0 N--CA 1.413 -2.836 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.531 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -89.12 151.94 21.92 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 117.401 0.601 . . . . 0.0 109.965 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.6 m -98.04 106.42 18.71 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 175.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.31 110.37 21.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.904 -171.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 t -76.13 119.57 20.23 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 19.71 25.15 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.061 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.46 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.8 tt -103.28 148.47 8.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.05 102.24 15.0 Favored 'General case' 0 CA--C 1.475 -1.928 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.3 ttpt -63.71 -22.69 67.03 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 123.7 0.625 . . . . 0.0 111.9 -172.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -75.02 -26.24 59.34 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.114 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.26 -4.27 55.03 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.574 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.2 mp -79.72 -27.3 40.65 Favored 'General case' 0 C--O 1.197 -1.681 0 O-C-N 123.775 0.672 . . . . 0.0 111.646 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -88.09 78.5 8.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.464 1.126 . . . . 0.0 109.194 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.521 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 54.2 mt -73.91 -37.68 48.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.472 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -82.95 -5.5 59.08 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.708 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.77 56.15 14.15 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.437 -0.801 . . . . 0.0 114.69 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -111.87 -8.33 14.12 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 117.359 0.579 . . . . 0.0 110.859 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.56 -6.9 59.32 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 115.916 -0.584 . . . . 0.0 113.013 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.59 151.42 51.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 0.0 111.522 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.41 106.62 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.885 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -136.67 178.26 7.21 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.218 -176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.93 -18.17 68.4 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 121.613 -0.327 . . . . 0.0 113.46 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.92 -41.44 91.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.234 0.54 . . . . 0.0 109.66 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.74 -39.86 80.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.731 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD13 ' HG2' ' A' ' 21' ' ' MET . 34.6 tp -59.04 -44.69 91.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.744 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 71.4 mtp -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.672 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 52.1 mm-40 -68.07 -39.15 83.0 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.218 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.14 -46.32 87.76 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.235 0.614 . . . . 0.0 110.932 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.9 mt -56.55 -48.88 79.67 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.507 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 64.6 tttt -51.98 -46.28 64.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.543 1.137 . . . . 0.0 112.196 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -61.51 -55.44 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.19 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.408 HG21 ' CD1' ' A' ' 18' ' ' ILE . 70.3 t . . . . . 0 C--N 1.311 -1.078 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.769 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.498 HG23 ' HB3' ' A' ' 6' ' ' ASP . 2.9 tt . . . . . 0 N--CA 1.419 -2.005 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 41.8 mt -61.85 111.38 1.86 Allowed 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -175.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.98 -20.53 10.67 Favored Glycine 0 N--CA 1.426 -2.002 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.027 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.498 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.2 t0 -116.73 88.77 2.97 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-O 122.971 1.367 . . . . 0.0 109.615 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.76 -38.8 37.74 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.891 -1.958 . . . . 0.0 111.866 -172.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -86.88 -3.17 59.04 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.793 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 60.29 62.48 1.58 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 122.73 1.253 . . . . 0.0 111.556 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -119.5 3.54 11.23 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.769 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.48 5.24 75.66 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.091 -0.958 . . . . 0.0 114.601 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -151.28 139.65 14.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 116.962 0.381 . . . . 0.0 111.472 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG21 ' HB3' ' A' ' 57' ' ' LYS . 30.4 m -74.13 98.13 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-O 121.862 0.839 . . . . 0.0 109.055 172.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -126.33 177.7 6.28 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.144 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -62.04 -24.25 64.76 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.861 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.1 mmt180 -65.04 -31.72 73.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 122.666 -0.314 . . . . 0.0 110.507 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.83 -39.59 90.97 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.978 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.503 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.67 -45.12 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.548 175.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.668 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -60.51 -54.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.597 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 70.7 mmm -57.55 -42.4 82.93 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.29 1.036 . . . . 0.0 110.601 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.501 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -55.24 -57.17 12.89 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 109.199 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -30.25 71.35 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.049 -1.432 . . . . 0.0 112.569 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 30.3 mm-40 -62.8 -57.24 11.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.634 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -65.16 -41.79 94.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.51 -33.87 68.5 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.441 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.01 -0.03 26.27 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.979 0.511 . . . . 0.0 111.858 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.53 61.78 Favored Glycine 0 N--CA 1.419 -2.485 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.854 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 28' ' ' LYS . 48.9 mtpt -88.54 157.36 18.64 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 117.41 0.605 . . . . 0.0 109.58 177.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.3 m -97.84 113.64 25.49 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.2 108.97 19.21 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.388 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -76.04 116.79 17.09 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.11 32.13 8.06 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.745 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.6 tt -110.84 152.57 12.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.15 97.8 11.36 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 170.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.0 ttpt -60.02 -18.87 49.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.896 0.878 . . . . 0.0 112.687 -172.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.54 -21.75 25.24 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 122.95 0.5 . . . . 0.0 109.808 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.52 -4.23 53.15 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.043 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.2 mp -78.88 -25.48 43.9 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.85 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.13 76.99 9.18 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-O 122.637 1.208 . . . . 0.0 108.668 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.8 mt -74.17 -34.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 112.838 -1.983 . . . . 0.0 111.946 -173.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.882 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.51 58.41 5.45 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.923 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -114.66 -13.44 12.1 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 117.236 0.518 . . . . 0.0 111.046 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.98 -9.25 54.91 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.527 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.09 153.58 47.51 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 117.237 0.519 . . . . 0.0 110.573 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 38' ' ' LEU . 58.9 t -92.32 104.97 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.36 178.86 6.74 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.713 -174.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.22 -16.79 69.42 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.626 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -62.38 -42.8 99.69 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -68.06 -40.96 82.64 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.57 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.501 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.5 tp -57.65 -43.83 85.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.908 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 40.3 mtt -69.9 -29.86 67.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.143 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.3 mm-40 -70.19 -38.29 75.3 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.81 -45.01 91.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 51' ' ' LEU . 77.0 mt -57.57 -45.87 86.2 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.4 tttt -54.14 -49.49 69.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.387 1.075 . . . . 0.0 111.412 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.4 mmmt -63.43 -56.48 15.86 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.734 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 18' ' ' ILE . 71.7 t . . . . . 0 C--N 1.297 -1.716 0 C-N-CA 123.966 0.907 . . . . 0.0 113.255 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.517 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.3 tt . . . . . 0 N--CA 1.416 -2.168 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.7 mt -60.32 115.37 3.48 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.366 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.12 -15.34 20.88 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.2 t0 -118.53 84.76 2.24 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-O 122.612 1.196 . . . . 0.0 109.354 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.17 -37.17 46.42 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.618 -173.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -85.64 -3.83 58.99 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 59.55 63.11 1.59 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 124.572 1.17 . . . . 0.0 111.92 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -122.3 4.55 9.72 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.65 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.38 10.96 72.97 Favored Glycine 0 CA--C 1.499 -0.93 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -154.45 142.69 13.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 117.114 0.457 . . . . 0.0 110.345 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -78.7 96.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.175 0 CA-C-O 122.028 0.918 . . . . 0.0 108.94 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -125.07 174.66 7.88 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.996 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -60.79 -24.41 62.37 Favored Glycine 0 N--CA 1.47 0.9 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.24 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.2 mmt180 -64.32 -31.29 72.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.837 0.351 . . . . 0.0 110.34 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.08 -37.7 81.52 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.273 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.539 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.33 -45.06 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.117 0.967 . . . . 0.0 110.164 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.623 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.7 t -59.26 -52.71 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.657 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.7 mmm -60.02 -41.8 92.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.157 0.983 . . . . 0.0 110.462 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.2 tpt -54.37 -57.44 11.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.309 1.443 . . . . 0.0 108.679 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.47 -35.39 75.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.648 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 7.6 mm-40 -60.37 -55.34 34.75 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 120.875 0.369 . . . . 0.0 110.627 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -66.16 -41.74 89.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.932 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 21' ' ' MET . 85.0 mt -55.79 -40.22 72.38 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.0 0.813 . . . . 0.0 111.234 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.14 60.91 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.5 10.14 Favored Glycine 0 N--CA 1.422 -2.277 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.392 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -88.1 148.88 24.25 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -85.36 107.61 17.44 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.91 111.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.02 117.52 17.82 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.34 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.79 28.09 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.292 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 38' ' ' LEU . 18.3 tt -97.17 150.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -85.54 99.92 11.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 169.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.0 ttpt -69.67 -12.09 61.36 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 123.82 0.7 . . . . 0.0 112.077 -170.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -88.23 -24.95 23.11 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.76 35.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.145 -173.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.5 mp -78.55 -24.25 45.74 Favored 'General case' 0 CA--C 1.478 -1.827 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.297 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.02 74.64 5.55 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-O 122.832 1.301 . . . . 0.0 110.132 -175.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 33.6 mt -74.31 -28.5 22.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 112.813 -1.994 . . . . 0.0 112.185 -172.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -85.96 -9.87 56.13 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.196 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.48 51.57 47.2 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.645 -0.707 . . . . 0.0 114.8 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 p30 -114.81 -19.33 11.06 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 117.742 0.771 . . . . 0.0 110.86 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.87 -10.59 55.79 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 121.359 -0.448 . . . . 0.0 113.724 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.15 130.89 53.93 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 117.537 0.668 . . . . 0.0 109.748 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.21 107.92 14.67 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.596 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -135.55 177.36 7.88 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.724 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.75 -15.16 57.36 Favored Glycine 0 C--O 1.22 -0.751 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.025 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.5 mtm180 -67.85 -34.08 76.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -72.91 -38.49 66.86 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.541 HD13 ' HG2' ' A' ' 21' ' ' MET . 43.5 tp -58.86 -43.79 90.88 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.028 175.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 67.7 mtt -62.33 -37.51 85.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 177.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.612 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.78 -39.21 84.1 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.58 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.47 -47.69 78.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.616 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.9 mt -58.39 -44.25 88.2 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -52.8 -46.81 67.83 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.424 1.089 . . . . 0.0 111.66 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -64.49 -54.6 29.9 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.747 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 18' ' ' ILE . 59.5 t . . . . . 0 C--N 1.308 -1.203 0 C-N-CA 123.657 0.783 . . . . 0.0 112.04 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.491 HG23 ' HB3' ' A' ' 6' ' ' ASP . 6.0 tt . . . . . 0 N--CA 1.421 -1.877 0 CA-C-O 121.084 0.468 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.5 mt -60.0 118.51 6.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.767 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.45 -15.76 29.66 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.394 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.6 t0 -117.18 86.07 2.44 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-O 122.938 1.352 . . . . 0.0 109.438 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.417 HD13 ' HB3' ' A' ' 17' ' ' ASP . 6.9 mp -78.77 -36.35 43.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 112.812 -1.994 . . . . 0.0 111.72 -173.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -85.92 -4.94 59.29 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 59.37 62.37 1.81 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.708 1.242 . . . . 0.0 111.416 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -118.17 3.89 12.0 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.758 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.04 8.94 74.7 Favored Glycine 0 N--CA 1.438 -1.19 0 CA-C-N 115.026 -0.988 . . . . 0.0 114.144 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -153.5 139.73 11.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 CA-C-N 117.148 0.474 . . . . 0.0 111.269 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.43 97.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 121.463 0.649 . . . . 0.0 109.412 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -126.19 177.3 6.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.776 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.3 -25.6 62.81 Favored Glycine 0 N--CA 1.469 0.85 0 CA-C-N 116.11 -0.495 . . . . 0.0 114.146 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' MET . 29.7 mmt180 -63.15 -31.45 72.59 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.573 -0.369 . . . . 0.0 110.786 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' HB3' HD13 ' A' ' 7' ' ' LEU . 51.9 m-20 -65.98 -39.51 90.42 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.31 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.507 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -52.38 -45.22 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.391 1.076 . . . . 0.0 110.23 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 38.9 t -59.3 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -64.64 -39.28 93.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.058 0.943 . . . . 0.0 110.479 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.566 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -56.71 -55.37 34.97 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 124.995 1.318 . . . . 0.0 108.567 176.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -63.35 -32.38 73.79 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.292 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 15.2 mm-40 -60.9 -58.12 9.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.02 -42.41 97.13 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.002 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -57.56 -33.67 68.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 123.829 0.706 . . . . 0.0 112.239 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.31 -7.34 57.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.304 0.573 . . . . 0.0 110.923 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.82 24.14 31.02 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.102 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -96.06 152.12 18.83 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -91.07 122.42 33.7 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.33 115.73 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 t -75.6 119.86 20.23 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.45 23.02 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.2 -0.524 . . . . 0.0 113.002 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' HD11 ' A' ' 38' ' ' LEU . 18.1 tt -102.68 148.87 7.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.15 101.55 14.27 Favored 'General case' 0 CA--C 1.483 -1.615 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -24.78 66.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.869 0.843 . . . . 0.0 112.521 -171.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -82.08 -22.98 36.04 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.61 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.28 -2.35 48.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.546 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 33' ' ' ILE . 9.5 mp -79.39 -29.72 42.17 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.536 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -87.88 76.52 8.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.681 1.229 . . . . 0.0 110.08 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 39.0 mt -74.43 -33.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.604 -171.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.46 -12.02 56.82 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.305 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.32 58.31 5.59 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 115.989 -0.55 . . . . 0.0 114.148 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -114.66 -14.83 12.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.034 0.417 . . . . 0.0 111.638 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.48 55.2 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.541 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.97 156.3 41.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.992 0.396 . . . . 0.0 110.092 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.41 HG11 HD23 ' A' ' 38' ' ' LEU . 46.9 t -98.76 106.75 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.362 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.0 179.37 6.39 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.245 -173.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 -21.57 71.1 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.117 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.0 mmm-85 -54.85 -45.48 74.55 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 123.264 0.626 . . . . 0.0 109.692 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -67.59 -37.58 82.79 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.957 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.566 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.8 tp -61.78 -44.63 96.49 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.663 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.3 mtt -65.64 -33.11 75.14 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.895 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.6 mm-40 -68.14 -43.86 77.38 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.561 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.9 -47.53 85.98 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 123.646 0.779 . . . . 0.0 110.867 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.0 mt -55.33 -41.7 63.14 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 35.4 ttpt -59.61 -50.76 72.62 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 122.844 0.458 . . . . 0.0 111.357 175.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.4 mmmt -59.76 -49.58 77.17 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.876 0.846 . . . . 0.0 110.832 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 18' ' ' ILE . 86.4 t . . . . . 0 C--N 1.296 -1.74 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.271 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.431 HG23 ' HB3' ' A' ' 6' ' ' ASP . 5.3 tt . . . . . 0 N--CA 1.425 -1.706 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.44 117.65 4.71 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.292 0.637 . . . . 0.0 111.19 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.64 -21.89 20.42 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.431 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.7 t0 -114.99 88.36 2.85 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 122.602 1.191 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.87 -37.25 40.73 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.32 -173.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.44 -7.12 58.69 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.028 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 61.6 63.32 1.18 Allowed 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.479 1.133 . . . . 0.0 111.879 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -121.56 0.95 10.02 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.93 6.51 67.06 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 115.225 0.85 . . . . 0.0 115.225 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.0 142.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 117.339 0.57 . . . . 0.0 110.994 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.93 96.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.967 0.889 . . . . 0.0 110.006 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -125.67 179.21 5.26 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.992 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.494 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.93 -19.7 67.94 Favored Glycine 0 N--CA 1.471 0.996 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.292 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -69.67 -29.8 67.32 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -68.44 -39.66 81.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.494 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -50.77 -43.03 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 124.352 1.033 . . . . 0.0 110.64 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.642 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -61.64 -54.65 31.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.788 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.1 mmm -57.09 -42.2 80.26 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.384 1.074 . . . . 0.0 110.36 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.521 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -54.67 -57.35 11.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 125.582 1.553 . . . . 0.0 109.159 177.28 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -63.65 -33.38 75.49 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.298 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.1 mm-40 -60.51 -55.36 34.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.049 0.452 . . . . 0.0 110.72 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.71 -43.1 90.15 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.315 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.99 -35.94 71.93 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.776 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -22.74 60.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.16 0.505 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.93 25.39 6.82 Favored Glycine 0 N--CA 1.415 -2.727 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.758 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -93.01 158.64 15.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.267 0.534 . . . . 0.0 110.111 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -94.89 109.72 21.68 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.78 119.41 41.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -76.03 126.79 31.65 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.86 31.32 49.31 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.094 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.6 tt -102.35 146.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.88 99.73 12.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 169.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.511 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.1 ttmt -63.71 -16.45 61.12 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.212 1.005 . . . . 0.0 112.521 -171.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -89.68 -24.07 21.69 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -8.19 57.29 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.505 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 35' ' ' LYS . 7.6 mp -75.96 -28.21 57.82 Favored 'General case' 0 C--O 1.196 -1.721 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -86.19 77.45 9.56 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.877 1.322 . . . . 0.0 109.522 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mt -74.54 -37.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.63 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.455 ' HB3' ' HG3' ' A' ' 53' ' ' GLU . 21.9 p-10 -80.51 -7.93 59.38 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.585 -178.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.82 58.39 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.684 -0.689 . . . . 0.0 114.281 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -114.81 -13.91 11.99 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.398 0.599 . . . . 0.0 111.353 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.32 57.49 Favored Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.341 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.43 148.8 52.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.035 0.418 . . . . 0.0 110.655 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.73 105.01 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.004 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -135.84 176.87 8.29 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.261 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.84 -15.47 66.92 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 116.625 -0.262 . . . . 0.0 112.955 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 25.3 mmm180 -62.84 -43.7 98.09 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -68.51 -36.72 79.28 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.909 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 21' ' ' MET . 29.7 tp -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.395 176.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.09 -32.57 73.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.549 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 63.7 mm-40 -67.9 -39.27 83.63 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.441 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.62 -44.05 91.78 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -59.28 -40.27 80.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.0 ttmt -56.96 -55.25 37.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.489 0.716 . . . . 0.0 110.107 173.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.2 mmmt -55.88 -53.31 58.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.213 1.005 . . . . 0.0 112.481 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' A' ' 18' ' ' ILE . 58.3 t . . . . . 0 C--N 1.304 -1.397 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.032 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.422 HG23 ' HB3' ' A' ' 6' ' ' ASP . 10.7 tt . . . . . 0 N--CA 1.422 -1.83 0 CA-C-O 122.187 0.994 . . . . 0.0 109.81 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 52.0 mt -68.42 111.26 4.56 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.495 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.47 -18.29 9.43 Favored Glycine 0 N--CA 1.429 -1.805 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.422 ' HB3' HG23 ' A' ' 3' ' ' ILE . 20.6 t70 -114.52 89.22 3.04 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 122.704 1.24 . . . . 0.0 110.442 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.57 -34.91 46.63 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.12 -1.854 . . . . 0.0 112.665 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -90.49 -2.2 57.91 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.6 t70 59.98 63.4 1.46 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.552 1.168 . . . . 0.0 111.653 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -118.69 -1.9 11.04 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.854 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.8 -2.25 69.45 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.569 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -146.65 138.27 18.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 117.516 0.658 . . . . 0.0 112.315 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.18 96.96 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-O 122.267 1.032 . . . . 0.0 110.182 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -125.46 -177.11 3.78 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.146 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -68.28 -20.34 73.18 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.818 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.8 mmt180 -67.16 -31.12 71.33 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 122.796 0.438 . . . . 0.0 110.288 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.8 -40.26 79.67 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.182 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.454 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -51.95 -45.42 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.105 0.962 . . . . 0.0 110.225 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.68 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 37.4 t -56.8 -54.44 29.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.731 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 78.0 mmm -61.46 -39.8 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.979 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.49 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.6 tpt -54.17 -57.96 9.16 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 125.137 1.375 . . . . 0.0 109.471 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -64.11 -31.85 73.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.368 -1.742 . . . . 0.0 112.17 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.4 mm-40 -61.24 -59.0 5.98 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.542 0.526 . . . . 0.0 109.872 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.54 -44.53 93.95 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.962 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.0 mt -57.2 -35.49 69.7 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 124.122 0.889 . . . . 0.0 112.141 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -9.21 58.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.921 0.391 . . . . 0.0 111.615 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.2 23.03 20.94 Favored Glycine 0 N--CA 1.416 -2.682 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.593 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -99.12 147.09 25.44 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.5 m -99.58 111.33 23.69 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.96 111.42 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.762 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 -171.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -73.77 117.28 15.36 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.49 6.94 46.6 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.774 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.1 tt -88.61 147.23 5.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.13 98.06 11.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HA ' HD13 ' A' ' 38' ' ' LEU . 34.8 ttmt -60.14 -25.21 65.32 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.324 0.583 . . . . 0.0 112.149 -172.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -76.62 -24.16 53.37 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.982 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.34 -3.94 57.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.657 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.7 mp -80.72 -26.88 37.14 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.13 75.04 10.38 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.636 1.208 . . . . 0.0 109.607 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.483 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.1 mt -74.62 -35.78 38.87 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.167 -174.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -80.49 -10.03 59.75 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.239 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.93 58.68 8.57 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.086 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -115.18 -15.17 11.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.118 0.459 . . . . 0.0 112.074 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.16 0.68 54.43 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.405 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.47 153.21 51.81 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -94.46 104.07 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.177 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.38 173.95 11.15 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.077 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.84 -15.64 58.22 Favored Glycine 0 N--CA 1.474 1.196 0 CA-C-N 116.608 -0.269 . . . . 0.0 113.374 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -64.36 -37.05 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -73.41 -38.13 65.68 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.49 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.6 tp -57.4 -46.75 83.13 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.922 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 81.8 mtp -65.45 -33.82 76.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.35 -40.09 85.8 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.29 -45.45 87.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.811 0.339 . . . . 0.0 110.393 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -58.59 -42.12 83.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.007 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 31.9 ttmt -55.05 -56.13 23.21 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.061 0.545 . . . . 0.0 110.265 173.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.5 mmmt -55.0 -55.9 25.73 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.922 0.889 . . . . 0.0 111.994 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 18' ' ' ILE . 53.2 t . . . . . 0 C--N 1.297 -1.679 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.56 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.526 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.2 tt . . . . . 0 N--CA 1.415 -2.198 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.07 112.99 2.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.487 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.96 -17.43 17.46 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.526 ' HB3' HG23 ' A' ' 3' ' ' ILE . 15.7 t0 -118.68 88.8 3.0 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.014 1.388 . . . . 0.0 110.257 177.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.12 -35.73 41.73 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 112.718 -2.037 . . . . 0.0 112.467 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -90.31 -4.01 57.4 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.324 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 61.27 63.62 1.2 Allowed 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.576 1.179 . . . . 0.0 111.538 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -115.32 -8.98 12.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.553 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.38 -1.9 58.99 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-N 115.475 -0.784 . . . . 0.0 114.59 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 HD22 ' A' ' 14' ' ' ASN . 7.5 p -152.6 148.68 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.368 0 CA-C-N 118.161 0.98 . . . . 0.0 112.792 -174.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 57' ' ' LYS . 27.4 m -78.84 97.49 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.153 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.402 HD22 HG13 ' A' ' 12' ' ' VAL . 10.5 p30 -126.42 -167.54 1.73 Allowed 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.64 -0.663 . . . . 0.0 111.37 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -70.57 -21.8 77.76 Favored Glycine 0 C--O 1.223 -0.563 0 CA-C-N 115.879 -0.6 . . . . 0.0 114.207 -175.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 22.2 mmt180 -64.96 -36.09 83.27 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 121.099 0.476 . . . . 0.0 110.013 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.418 ' OD2' ' HA ' ' A' ' 6' ' ' ASP . 15.4 m-20 -63.45 -43.74 96.53 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.741 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -50.27 -44.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.246 0.966 . . . . 0.0 110.967 173.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 22.3 t -62.57 -54.46 33.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.894 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.057 0.943 . . . . 0.0 110.645 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.543 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.66 -56.27 20.88 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 125.316 1.446 . . . . 0.0 109.533 177.527 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -66.41 -31.24 71.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.481 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.4 mm-40 -59.43 -56.08 26.54 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.336 0.589 . . . . 0.0 109.974 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.57 -42.13 83.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -55.65 -39.85 71.44 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.906 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.37 63.32 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 122.885 0.474 . . . . 0.0 111.07 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.12 27.22 8.35 Favored Glycine 0 N--CA 1.42 -2.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.876 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -95.79 158.44 15.45 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -91.27 111.6 23.15 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.55 108.56 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -76.41 116.99 17.62 Favored 'General case' 0 C--N 1.282 -2.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.81 25.53 22.35 Favored Glycine 0 C--O 1.246 0.9 0 CA-C-N 116.033 -0.53 . . . . 0.0 113.427 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.9 tt -99.3 152.22 4.56 Favored 'Isoleucine or valine' 0 C--O 1.248 0.986 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -93.6 97.88 10.78 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 168.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HA ' HD13 ' A' ' 38' ' ' LEU . 38.2 ttmt -64.82 -15.13 61.36 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 123.639 0.776 . . . . 0.0 112.663 -170.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -85.13 -26.77 26.66 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.638 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.74 -2.72 37.64 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.846 0.459 . . . . 0.0 111.841 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 35' ' ' LYS . 7.8 mp -81.7 -23.09 37.01 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.808 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -87.06 72.53 10.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.733 1.254 . . . . 0.0 109.721 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.29 -35.08 38.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 113.439 -1.709 . . . . 0.0 111.774 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -81.11 -10.77 59.61 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.246 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.38 58.67 6.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 116.05 -0.523 . . . . 0.0 114.211 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -115.59 -12.59 11.58 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.489 0.645 . . . . 0.0 112.271 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.74 53.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.489 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.73 162.49 32.2 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.761 0.315 . . . . 0.0 110.456 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -102.06 111.74 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.263 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -135.05 178.58 6.92 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 122.457 0.303 . . . . 0.0 110.634 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.85 -15.42 66.86 Favored Glycine 0 CA--C 1.506 -0.511 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.038 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 52.9 mtm180 -69.18 -32.97 72.63 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -73.31 -37.38 66.19 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.835 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD13 ' HG2' ' A' ' 21' ' ' MET . 26.7 tp -58.66 -45.44 89.34 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.851 175.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 88.6 mtp -70.74 -25.21 62.82 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.658 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 39.4 mm-40 -72.2 -40.09 68.13 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 172.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.55 -45.86 88.61 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.394 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.9 mt -60.19 -40.62 84.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.831 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.271 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.3 tttt -54.96 -46.8 75.07 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.237 1.015 . . . . 0.0 110.908 173.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mmmt -64.59 -52.85 55.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.341 0.657 . . . . 0.0 111.435 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 18' ' ' ILE . 49.2 t . . . . . 0 C--N 1.31 -1.11 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.7 tt . . . . . 0 N--CA 1.422 -1.826 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.8 113.08 1.88 Allowed 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.54 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.04 -17.7 17.01 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.491 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.528 ' HB3' HG23 ' A' ' 3' ' ' ILE . 24.5 t70 -121.81 87.37 2.74 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 122.952 1.358 . . . . 0.0 109.799 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.58 -34.08 47.16 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 112.955 -1.93 . . . . 0.0 112.439 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.39 -4.0 57.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.45 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.401 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.8 t70 57.75 64.19 1.62 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 124.472 1.108 . . . . 0.0 112.2 178.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -122.68 8.56 9.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.413 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.85 10.19 81.5 Favored Glycine 0 CA--C 1.491 -1.414 0 CA-C-N 115.512 -0.767 . . . . 0.0 114.618 171.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -154.62 138.94 9.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.135 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.5 98.76 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.476 1.131 . . . . 0.0 109.599 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -125.45 177.11 6.37 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.766 -176.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -66.34 -19.15 68.24 Favored Glycine 0 C--O 1.225 -0.465 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.94 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.3 mmt180 -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -63.52 -42.18 98.47 Favored 'General case' 0 CA--C 1.491 -1.312 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.18 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.44 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -51.09 -43.28 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.175 0.99 . . . . 0.0 110.756 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.0 t -64.26 -52.14 59.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.296 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.8 mmm -57.53 -42.91 83.83 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 124.235 0.96 . . . . 0.0 110.176 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.531 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -53.79 -58.2 8.1 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 125.664 1.585 . . . . 0.0 108.911 177.056 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.93 -31.54 71.87 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.895 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 25.6 mm-40 -63.72 -54.11 40.54 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.956 0.408 . . . . 0.0 110.24 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -67.7 -40.86 84.31 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.534 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -58.82 -32.89 69.78 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.53 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.81 -10.87 59.93 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.17 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.53 20.25 32.6 Favored Glycine 0 N--CA 1.426 -1.975 0 CA-C-N 116.44 -0.345 . . . . 0.0 112.831 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -90.84 157.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -93.83 112.65 24.54 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -95.95 117.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -76.33 117.83 18.41 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.843 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.18 21.85 Favored Glycine 0 N--CA 1.436 -1.338 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.8 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 tt -101.61 143.76 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.31 95.19 10.19 Favored 'General case' 0 CA--C 1.482 -1.666 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 172.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' A' ' 38' ' ' LEU . 14.0 tmtt? -56.12 -23.75 36.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.948 0.899 . . . . 0.0 113.269 -174.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.79 -23.66 41.98 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.301 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.71 -2.26 55.85 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.8 mp -78.72 -27.75 44.94 Favored 'General case' 0 CA--C 1.495 -1.149 0 O-C-N 123.745 0.653 . . . . 0.0 111.922 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -87.1 77.82 9.03 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 122.806 1.288 . . . . 0.0 109.793 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.6 mt -73.64 -34.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.225 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -83.43 -6.31 59.42 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.105 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.51 58.25 13.12 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.647 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -110.49 -15.21 13.96 Favored 'General case' 0 C--N 1.309 -1.153 0 O-C-N 122.363 -0.492 . . . . 0.0 111.196 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.01 4.34 48.07 Favored Glycine 0 N--CA 1.44 -1.096 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.848 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.77 147.93 32.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.464 0.632 . . . . 0.0 111.126 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.45 104.34 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.678 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -136.63 177.53 7.78 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.025 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -20.33 66.69 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.153 -0.476 . . . . 0.0 113.127 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -59.12 -41.38 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -69.69 -39.32 77.02 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.994 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.531 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.3 tp -59.38 -45.49 91.3 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 124.173 0.921 . . . . 0.0 109.468 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.69 -33.54 75.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.628 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 25.7 mm-40 -67.86 -37.99 82.55 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.74 -43.92 87.51 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.583 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -59.16 -44.17 91.16 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.784 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.0 tttt -53.21 -43.53 67.29 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 124.8 1.24 . . . . 0.0 111.632 173.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -68.16 -49.23 62.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 18' ' ' ILE . 44.6 t . . . . . 0 C--N 1.312 -1.044 0 CA-C-O 122.156 0.979 . . . . 0.0 112.687 -174.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.516 HG23 ' HB3' ' A' ' 6' ' ' ASP . 6.3 tt . . . . . 0 N--CA 1.428 -1.534 0 CA-C-O 122.041 0.924 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 51.3 mt -64.73 112.72 3.35 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.718 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.0 -15.94 12.18 Favored Glycine 0 N--CA 1.426 -1.974 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.541 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 24.5 t70 -117.27 86.49 2.52 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 122.734 1.254 . . . . 0.0 109.671 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.44 -33.0 48.8 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.002 -1.908 . . . . 0.0 112.903 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -92.06 3.15 55.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.208 0.527 . . . . 0.0 110.499 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.541 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.411 5.1 p-10 47.34 57.57 5.7 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 126.811 2.044 . . . . 0.0 114.616 179.236 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -110.37 0.59 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.198 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.17 59.0 Favored Glycine 0 CA--C 1.502 -0.733 0 N-CA-C 115.192 0.837 . . . . 0.0 115.192 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.33 138.82 6.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 117.947 0.873 . . . . 0.0 111.414 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.1 98.41 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-O 122.673 1.225 . . . . 0.0 110.377 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -125.16 177.4 6.13 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 114.626 -1.17 . . . . 0.0 113.198 -175.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.464 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -64.03 -24.81 68.93 Favored Glycine 0 N--CA 1.467 0.752 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.529 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.593 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.0 mmt180 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.787 0.835 . . . . 0.0 110.353 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -66.81 -40.93 88.22 Favored 'General case' 0 CA--C 1.488 -1.441 0 C-N-CA 122.804 0.442 . . . . 0.0 110.142 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.464 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -50.2 -47.42 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 124.354 1.034 . . . . 0.0 110.144 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.682 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 14.2 t -59.15 -54.71 30.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.677 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.8 mmm -57.1 -41.86 79.68 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.262 0.976 . . . . 0.0 110.771 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.551 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.5 tpt -56.02 -56.87 15.5 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.227 1.411 . . . . 0.0 109.41 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 69.0 mtp180 -68.54 -23.22 64.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 113.973 -1.467 . . . . 0.0 112.012 -173.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.2 mm-40 -67.53 -57.27 6.79 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.33 -41.2 98.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 21' ' ' MET . 89.3 mt -56.99 -36.91 70.91 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.475 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 -14.25 58.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.435 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.21 19.69 22.8 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 116.268 -0.424 . . . . 0.0 113.17 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.39 151.74 19.57 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 122.353 -0.498 . . . . 0.0 109.716 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.5 m -82.55 126.36 32.19 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 174.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.02 114.49 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.084 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -75.77 122.02 23.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.153 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.2 34.38 14.73 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.397 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.447 HD11 HD11 ' A' ' 38' ' ' LEU . 15.0 tt -107.99 144.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-O 121.028 0.442 . . . . 0.0 110.355 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -92.5 96.86 10.47 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.2 ttmt -60.16 -19.6 54.65 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.938 0.773 . . . . 0.0 112.458 -173.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -84.69 -21.76 30.04 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.252 0.621 . . . . 0.0 110.314 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.65 0.7 51.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.74 0.305 . . . . 0.0 111.641 -174.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.1 mp -80.8 -26.06 37.42 Favored 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.739 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.53 78.03 9.28 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.675 1.226 . . . . 0.0 109.351 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.553 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 47.4 mt -74.11 -37.44 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.545 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.16 -11.71 59.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.186 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 58.87 5.56 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.523 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -112.95 -9.51 13.61 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.352 0.576 . . . . 0.0 110.762 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.3 -10.79 54.59 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.517 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.16 162.24 32.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.556 0.678 . . . . 0.0 111.671 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -97.97 105.94 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 49' ' ' ARG . 8.7 p30 -136.14 -178.31 5.09 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.629 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.78 -17.38 73.15 Favored Glycine 0 C--O 1.216 -0.98 0 CA-C-N 116.505 -0.316 . . . . 0.0 112.752 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 27.3 mmt180 -58.88 -41.83 88.03 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -69.18 -39.21 78.85 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.93 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.551 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.0 tp -61.09 -43.51 98.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.923 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.1 mtt -64.92 -37.81 88.89 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.774 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 60.8 mm-40 -66.41 -40.44 89.59 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 175.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.56 -45.57 93.6 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.835 0.454 . . . . 0.0 110.207 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -57.08 -44.72 83.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.499 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 34.2 ttmt -54.24 -50.92 66.06 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.513 0.725 . . . . 0.0 111.028 174.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.7 mmmt -63.36 -55.49 24.08 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.097 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 18' ' ' ILE . 61.7 t . . . . . 0 N--CA 1.432 -1.356 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.648 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.485 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.1 tt . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 48.3 mt -60.9 112.64 2.13 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.437 -176.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.68 -21.72 11.26 Favored Glycine 0 N--CA 1.42 -2.368 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.519 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 3' ' ' ILE . 20.7 t70 -113.66 89.44 3.09 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 122.88 1.324 . . . . 0.0 109.694 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.85 -36.54 42.19 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.857 -1.974 . . . . 0.0 112.263 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.98 -7.03 56.77 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.031 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.2 t70 65.09 64.27 0.64 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.307 1.051 . . . . 0.0 111.658 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -120.77 -1.15 10.02 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.31 1.03 69.7 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.734 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -150.46 143.71 17.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 117.894 0.847 . . . . 0.0 112.097 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 m -70.48 96.72 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-O 121.97 0.89 . . . . 0.0 109.774 171.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -125.67 177.97 5.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.262 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -62.39 -22.39 63.36 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.521 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.0 mmt180 -63.89 -34.47 78.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.038 0.535 . . . . 0.0 110.928 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.99 -38.57 82.83 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.129 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.503 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.46 -43.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 124.157 0.911 . . . . 0.0 110.487 174.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 17.8 t -61.36 -53.06 53.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.321 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 77.3 mmm -58.68 -42.16 87.88 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.833 0.853 . . . . 0.0 110.471 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.528 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -55.25 -57.93 9.79 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.64 -32.91 73.09 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.852 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.4 mm-40 -62.07 -58.55 7.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.242 0.544 . . . . 0.0 110.514 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.98 -43.62 92.02 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.879 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 21' ' ' MET . 90.8 mt -55.91 -33.94 65.12 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.601 0.76 . . . . 0.0 112.144 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.24 -14.32 59.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.06 10.92 29.12 Favored Glycine 0 N--CA 1.418 -2.555 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.1 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -88.99 149.69 23.15 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -92.12 111.47 23.04 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.56 121.94 40.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 t -75.87 127.96 34.11 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 34.59 25.42 Favored Glycine 0 N--CA 1.432 -1.577 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.618 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -108.58 143.57 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.63 98.04 11.54 Favored 'General case' 0 CA--C 1.485 -1.555 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.7 ttmm -54.62 -31.48 57.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.831 0.852 . . . . 0.0 112.336 -173.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -79.69 -17.93 52.48 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.208 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.61 59.05 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.521 0.2 . . . . 0.0 111.031 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.2 mp -77.09 -26.92 53.93 Favored 'General case' 0 CA--C 1.483 -1.606 0 O-C-N 123.994 0.808 . . . . 0.0 111.303 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.36 76.1 8.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.922 1.344 . . . . 0.0 109.029 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 46.7 mt -74.15 -33.9 36.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-N 112.625 -2.08 . . . . 0.0 111.97 -172.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -82.96 -10.52 58.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.106 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.06 58.5 7.35 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.939 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -114.84 -11.54 12.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.534 0.667 . . . . 0.0 111.522 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.49 -3.48 57.85 Favored Glycine 0 N--CA 1.438 -1.202 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.387 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.92 150.51 52.04 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 122.296 -0.532 . . . . 0.0 110.383 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -93.35 101.42 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.857 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -135.92 177.78 7.56 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.535 -172.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.91 -17.2 67.24 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.628 -0.26 . . . . 0.0 113.067 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.83 -40.43 95.27 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -70.03 -38.67 75.94 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.854 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.3 tp -59.18 -45.69 90.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.641 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.52 -28.08 68.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.079 0.466 . . . . 0.0 111.521 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.651 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 27.0 mm-40 -71.72 -45.44 61.79 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.208 174.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.32 -47.25 84.32 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 124.121 0.888 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 51' ' ' LEU . 75.6 mt -56.78 -41.38 75.2 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.531 0 O-C-N 123.819 0.699 . . . . 0.0 109.349 176.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -59.71 -43.97 93.91 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.7 -49.58 61.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.443 0.697 . . . . 0.0 110.687 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 18' ' ' ILE . 61.9 t . . . . . 0 C--N 1.307 -1.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.061 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.0 tt . . . . . 0 N--CA 1.433 -1.319 0 CA-C-O 121.54 0.686 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 70.6 mt -62.57 114.12 3.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.84 -23.88 9.84 Favored Glycine 0 N--CA 1.427 -1.925 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.411 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -111.49 88.3 2.76 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 122.695 1.236 . . . . 0.0 109.917 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.61 -37.69 41.76 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 113.208 -1.814 . . . . 0.0 112.2 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -85.26 -6.61 59.25 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.625 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.9 t70 60.76 63.39 1.32 Allowed 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.676 1.19 . . . . 0.0 111.736 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -118.63 -2.3 11.0 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.751 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.75 1.9 63.32 Favored Glycine 0 CA--C 1.505 -0.562 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.161 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.0 137.66 19.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 117.074 0.437 . . . . 0.0 111.141 -173.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 57' ' ' LYS . 11.5 m -78.14 96.59 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 121.963 0.887 . . . . 0.0 109.026 175.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -125.86 176.51 6.91 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.58 -172.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.52 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -61.16 -23.11 61.53 Favored Glycine 0 N--CA 1.478 1.434 0 CA-C-N 116.006 -0.543 . . . . 0.0 113.458 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.8 mmt180 -65.49 -31.81 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.746 0.418 . . . . 0.0 110.472 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -67.67 -37.73 82.78 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.317 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.52 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -54.0 -43.9 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.801 0.84 . . . . 0.0 110.376 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.617 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 15.0 t -59.46 -49.66 82.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.907 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.2 mmm -63.48 -40.72 97.86 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.055 0.847 . . . . 0.0 110.131 -177.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.547 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.05 -56.19 20.36 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.545 1.538 . . . . 0.0 108.641 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.79 -30.47 70.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.159 -1.382 . . . . 0.0 113.386 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.5 mm-40 -65.76 -54.8 22.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.962 0.411 . . . . 0.0 110.903 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -65.51 -41.32 93.29 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.019 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.95 -30.06 63.71 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.281 0.988 . . . . 0.0 111.732 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.65 -4.53 59.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.454 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.58 57.2 Favored Glycine 0 N--CA 1.427 -1.901 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.219 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -88.38 151.24 22.72 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 m -92.12 107.74 19.43 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -85.99 113.18 23.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 t -76.36 117.46 18.05 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.36 26.81 17.06 Favored Glycine 0 C--O 1.246 0.875 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.754 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' CD1' HD11 ' A' ' 38' ' ' LEU . 15.4 tt -107.54 149.43 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.289 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.29 100.19 12.82 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HA ' HD13 ' A' ' 38' ' ' LEU . 22.3 ttpt -61.79 -26.5 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -170.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -85.24 -11.14 55.54 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.957 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.21 -4.83 58.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.73 0.3 . . . . 0.0 111.115 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.7 mp -82.01 -29.48 32.01 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.446 -177.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.27 76.34 9.18 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 122.752 1.263 . . . . 0.0 109.346 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.451 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 43.8 mt -74.03 -33.3 35.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.893 -171.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.48 -11.35 54.49 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.077 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.2 59.05 7.79 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.883 -0.599 . . . . 0.0 113.764 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 p30 -114.36 -11.83 12.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 117.442 0.621 . . . . 0.0 111.345 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.24 -3.68 51.29 Favored Glycine 0 N--CA 1.433 -1.541 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.429 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.55 151.92 49.92 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 122.252 -0.558 . . . . 0.0 110.276 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.4 t -93.26 106.4 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.097 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -136.17 178.94 6.67 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.874 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.35 -18.74 67.81 Favored Glycine 0 C--O 1.221 -0.717 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.538 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -60.74 -37.44 81.79 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.77 -38.06 67.43 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.323 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD13 ' HG2' ' A' ' 21' ' ' MET . 43.1 tp -59.83 -43.36 94.62 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 123.973 0.795 . . . . 0.0 109.511 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.3 mtt -62.51 -40.58 97.2 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.734 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 44.4 mm-40 -65.34 -40.38 93.59 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.258 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.74 -46.62 88.85 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -55.6 -45.57 78.88 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.041 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.1 ttmt -53.78 -49.84 67.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.073 0.949 . . . . 0.0 111.254 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.1 mmmt -63.31 -55.53 23.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.696 0.799 . . . . 0.0 111.377 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 18' ' ' ILE . 89.6 t . . . . . 0 C--N 1.305 -1.333 0 C-N-CA 124.322 1.049 . . . . 0.0 112.28 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' A' ' 6' ' ' ASP . 2.0 tt . . . . . 0 N--CA 1.431 -1.389 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 51.8 mt -59.21 111.89 1.51 Allowed 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.137 -177.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.28 -22.7 8.84 Favored Glycine 0 N--CA 1.428 -1.893 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.475 ' HB3' HG23 ' A' ' 3' ' ' ILE . 22.8 t70 -114.9 87.77 2.72 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.032 1.396 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 17' ' ' ASP . 7.1 mp -78.95 -37.07 40.55 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.099 -173.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -87.13 -4.42 59.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.692 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.2 t70 63.71 63.15 0.87 Allowed 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.579 1.18 . . . . 0.0 111.578 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -122.59 -1.68 9.0 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.223 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.39 -1.59 73.0 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.384 -0.825 . . . . 0.0 115.042 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -146.82 144.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 117.678 0.739 . . . . 0.0 111.686 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -74.39 98.71 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-O 122.121 0.962 . . . . 0.0 110.584 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -125.99 174.38 8.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.773 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.77 -23.36 60.99 Favored Glycine 0 N--CA 1.471 0.998 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.52 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.4 mmt180 -63.86 -32.94 74.62 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.052 0.541 . . . . 0.0 110.264 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB3' HD13 ' A' ' 7' ' ' LEU . 59.9 m-20 -68.31 -39.39 82.02 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.507 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.7 mp -51.44 -43.87 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.301 1.001 . . . . 0.0 110.786 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 5.5 t -62.96 -50.74 78.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.381 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -58.89 -42.05 88.64 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.943 0.897 . . . . 0.0 110.362 -178.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.534 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -54.47 -57.48 11.16 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 125.545 1.538 . . . . 0.0 108.755 177.045 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -61.48 -36.13 79.61 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.866 -1.515 . . . . 0.0 112.627 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.1 mm-40 -58.98 -56.73 18.49 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.128 0.489 . . . . 0.0 110.305 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.84 -42.42 94.94 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.57 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.28 -39.4 72.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.629 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.41 -25.11 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.936 0.398 . . . . 0.0 111.007 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.28 15.19 8.49 Favored Glycine 0 N--CA 1.426 -1.972 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.781 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -89.63 151.92 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.12 0.486 . . . . 0.0 110.375 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -92.13 108.91 20.29 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -95.24 111.39 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.48 117.11 17.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.5 6.94 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.6 tt -111.46 149.61 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -93.91 101.94 14.03 Favored 'General case' 0 CA--C 1.475 -1.938 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 168.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.4 ttpt -64.35 -15.58 60.63 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 123.789 0.68 . . . . 0.0 112.74 -172.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -89.16 -23.57 22.41 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.47 -7.07 57.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.306 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.0 mp -76.34 -29.62 57.33 Favored 'General case' 0 C--O 1.19 -2.066 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.52 76.26 9.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.732 1.253 . . . . 0.0 109.682 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.404 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 56.4 mt -74.39 -35.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.038 -173.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -81.16 -11.76 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.226 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.52 59.09 5.92 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.55 -0.75 . . . . 0.0 114.11 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.24 -10.84 12.68 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.726 0.763 . . . . 0.0 111.343 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.39 -10.41 56.41 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.034 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.12 156.41 44.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.109 0.481 . . . . 0.0 111.062 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -94.37 105.47 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.206 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -136.04 176.9 8.27 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.907 -174.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.11 -15.55 67.61 Favored Glycine 0 C--O 1.222 -0.608 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.733 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -64.66 -41.46 96.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 38' ' ' LEU . 46.6 m-20 -68.72 -37.76 79.7 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.366 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.534 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.1 tp -58.99 -45.84 89.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.087 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.47 -36.02 82.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -66.64 -40.2 88.61 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 123.516 0.51 . . . . 0.0 110.789 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.12 -45.24 92.93 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 122.422 0.289 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 51' ' ' LEU . 90.3 mt -57.64 -44.57 85.69 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -55.06 -44.54 74.83 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.46 1.104 . . . . 0.0 111.679 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmmt -66.58 -55.63 14.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.257 0.551 . . . . 0.0 111.08 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 18' ' ' ILE . 58.8 t . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.651 -175.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 6' ' ' ASP . 5.7 tt . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 121.369 0.604 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.13 119.81 8.56 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.921 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.62 -17.77 25.38 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.514 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.7 t70 -116.41 85.48 2.31 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 122.989 1.376 . . . . 0.0 110.104 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.78 -36.18 43.31 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 112.749 -2.023 . . . . 0.0 112.252 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -85.93 -1.85 57.7 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.835 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 58.72 62.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.723 1.264 . . . . 0.0 111.109 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -122.9 2.6 9.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.484 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.58 3.97 68.37 Favored Glycine 0 CA--C 1.508 -0.379 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -152.08 143.84 15.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 117.64 0.72 . . . . 0.0 111.601 -176.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.61 101.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-O 122.414 1.102 . . . . 0.0 110.327 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -125.34 176.64 6.64 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.443 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.506 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -67.48 -22.07 72.93 Favored Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.887 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.5 mmt180 -62.38 -31.22 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 110.213 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.92 -40.26 75.67 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.506 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.5 mp -53.35 -43.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.191 0.996 . . . . 0.0 110.173 175.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.635 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -56.91 -53.63 40.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.549 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.2 mmm -59.32 -42.34 91.19 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.672 1.189 . . . . 0.0 110.426 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.555 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -53.24 -56.01 19.93 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 125.231 1.412 . . . . 0.0 109.365 177.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 81.8 mtp180 -67.45 -30.7 70.49 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.223 -1.353 . . . . 0.0 112.299 -174.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -61.52 -53.89 50.43 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.938 0.399 . . . . 0.0 110.056 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.86 -41.29 95.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.542 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 21' ' ' MET . 96.9 mt -57.13 -39.25 74.8 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.218 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.84 -22.75 60.74 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.141 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.14 22.89 7.98 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.501 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -95.51 156.32 16.37 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -87.44 115.61 24.98 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -91.07 117.83 35.1 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -75.29 120.35 20.65 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.761 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.05 46.19 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.737 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.501 ' CD1' HD11 ' A' ' 38' ' ' LEU . 15.3 tt -100.13 145.68 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.33 100.42 13.01 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 38' ' ' LEU . 34.1 ttmt -62.17 -16.76 55.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.33 0.652 . . . . 0.0 112.43 -172.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -84.76 -25.65 28.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.12 -5.44 57.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.116 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.3 mp -75.44 -31.17 60.23 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 124.03 0.831 . . . . 0.0 110.889 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.07 76.29 10.26 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 122.593 1.187 . . . . 0.0 110.261 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt -74.39 -35.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 113.572 -1.649 . . . . 0.0 112.172 -174.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -79.19 -11.36 59.96 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.873 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.44 58.17 8.22 Favored Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.327 -0.851 . . . . 0.0 115.121 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.03 -17.97 11.34 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 117.887 0.843 . . . . 0.0 110.022 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.35 -11.54 54.66 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.833 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.36 34.64 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 117.377 0.588 . . . . 0.0 109.584 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 107.89 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.122 0 CA-C-O 121.894 0.854 . . . . 0.0 108.723 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -135.5 172.78 12.52 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.488 -172.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.57 -17.66 64.84 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.802 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -62.8 -39.23 93.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -68.88 -40.43 79.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.219 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.555 HD13 ' HG2' ' A' ' 21' ' ' MET . 37.1 tp -58.28 -45.69 87.42 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.908 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.9 -33.77 76.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.598 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 50.5 mm-40 -66.83 -40.28 87.92 Favored 'General case' 0 C--O 1.205 -1.238 0 O-C-N 123.245 0.341 . . . . 0.0 110.327 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.146 0.579 . . . . 0.0 110.911 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 51' ' ' LEU . 93.5 mt -59.19 -40.17 80.44 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.299 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.118 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.9 tttt -61.32 -42.58 98.91 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.005 1.322 . . . . 0.0 111.274 175.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.3 mmmt -62.86 -50.96 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 110.448 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.317 -0.834 0 CA-C-O 122.151 0.977 . . . . 0.0 110.789 -179.041 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.9 tt . . . . . 0 N--CA 1.437 -1.093 0 CA-C-O 121.109 0.481 . . . . 0.0 109.93 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.427 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.4 mt -63.09 112.53 2.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.183 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.6 -24.11 7.71 Favored Glycine 0 N--CA 1.417 -2.598 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.528 ' HB3' HG23 ' A' ' 3' ' ' ILE . 3.1 t70 -113.27 93.14 4.27 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-O 122.435 1.112 . . . . 0.0 109.91 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.423 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 7.9 mp -78.68 -31.7 46.78 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 113.68 -1.6 . . . . 0.0 112.795 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -92.75 -5.7 50.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.448 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 57.28 62.52 2.16 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 123.084 1.421 . . . . 0.0 111.637 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -111.23 -15.36 13.66 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.354 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.04 10.97 55.7 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 115.059 0.784 . . . . 0.0 115.059 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -156.54 124.83 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.509 0 CA-C-O 121.436 0.636 . . . . 0.0 110.893 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.24 97.32 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 CA-C-O 121.373 0.606 . . . . 0.0 111.71 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -126.16 -168.04 1.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.744 -0.598 . . . . 0.0 110.826 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.73 -24.53 72.76 Favored Glycine 0 C--O 1.224 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 114.289 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.629 ' O ' ' HG2' ' A' ' 20' ' ' MET . 39.0 mmt180 -63.41 -32.69 74.19 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-O 120.825 0.345 . . . . 0.0 111.046 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' OD1' ' HA ' ' A' ' 6' ' ' ASP . 14.9 m-20 -67.08 -43.12 83.38 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.248 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -52.13 -43.94 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.434 1.093 . . . . 0.0 110.707 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.0 t -60.73 -55.21 26.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.789 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.629 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 68.6 mmm -58.03 -40.42 80.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.946 0.898 . . . . 0.0 110.402 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.603 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.33 -56.84 14.48 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 109.089 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -67.47 -28.13 67.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.878 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 26.8 mm-40 -64.5 -52.54 57.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.27 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -65.63 -41.75 92.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.819 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 21' ' ' MET . 94.2 mt -60.57 -25.02 65.88 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.238 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.59 -9.06 53.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.145 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 24.46 35.22 Favored Glycine 0 N--CA 1.435 -1.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.285 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.03 153.54 18.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -84.68 115.29 22.59 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.99 117.68 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 t -75.84 126.5 31.12 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.112 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.17 34.08 64.66 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.89 -0.596 . . . . 0.0 113.244 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.404 HD11 HD11 ' A' ' 38' ' ' LEU . 15.9 tt -98.93 149.52 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.843 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -96.55 97.79 9.68 Favored 'General case' 0 N--CA 1.418 -2.049 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HA ' HD13 ' A' ' 38' ' ' LEU . 31.9 ttpt -58.39 -21.71 51.34 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 124.326 1.051 . . . . 0.0 112.226 -173.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.74 -21.01 28.45 Favored 'General case' 0 N--CA 1.437 -1.099 0 O-C-N 122.181 -0.324 . . . . 0.0 110.505 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.74 -3.91 58.2 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 120.875 0.369 . . . . 0.0 111.433 -174.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.0 mp -77.6 -31.72 53.17 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.834 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -83.93 77.84 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.788 1.28 . . . . 0.0 110.375 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 46.1 mt -74.66 -36.12 39.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 112.972 -1.922 . . . . 0.0 111.824 -174.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -81.43 -8.7 59.77 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.479 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.77 7.59 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.935 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -114.49 -13.29 12.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.566 0.683 . . . . 0.0 111.048 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.09 -10.74 57.03 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 116.031 -0.532 . . . . 0.0 113.001 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 155.92 39.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -98.28 105.22 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.952 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.13 178.84 6.74 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.122 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.97 69.53 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 116.65 -0.25 . . . . 0.0 112.841 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.64 -40.99 89.47 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.548 0.739 . . . . 0.0 109.07 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -71.18 -39.13 72.03 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.7 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.603 HD13 ' HG2' ' A' ' 21' ' ' MET . 41.1 tp -59.22 -42.98 92.26 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.806 0.692 . . . . 0.0 109.992 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.3 mtt -65.54 -36.47 83.91 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.313 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 22.6 mm-40 -69.14 -35.6 76.55 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.12 -46.66 76.77 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -57.44 -41.64 79.07 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.9 tttt -54.35 -52.7 60.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.318 1.047 . . . . 0.0 111.137 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.4 mmmt -60.95 -54.74 41.34 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.377 0.608 . . . . 0.0 111.308 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 18' ' ' ILE . 88.5 t . . . . . 0 C--N 1.309 -1.154 0 C-N-CA 124.114 0.965 . . . . 0.0 113.221 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.5 tt . . . . . 0 N--CA 1.426 -1.658 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.19 112.96 1.91 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.663 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.03 -21.55 12.11 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.721 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.8 t70 -115.76 89.69 3.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 122.725 1.25 . . . . 0.0 109.157 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.68 -37.06 42.67 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 113.064 -1.88 . . . . 0.0 112.015 -172.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -88.71 -3.34 58.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.586 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.7 t70 60.13 64.3 1.27 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 124.398 1.061 . . . . 0.0 111.534 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -120.26 -0.18 10.5 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 4.56 66.01 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 114.544 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 p -153.2 141.06 13.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 117.407 0.603 . . . . 0.0 111.816 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.33 99.98 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-O 121.642 0.734 . . . . 0.0 109.284 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -125.82 179.6 5.11 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.168 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.1 -22.97 69.36 Favored Glycine 0 CA--C 1.523 0.551 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.102 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.3 mmt180 -63.32 -32.08 73.4 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.146 0.578 . . . . 0.0 110.014 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -66.84 -39.87 87.78 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.607 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.55 -43.13 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.331 1.052 . . . . 0.0 110.293 175.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.669 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.4 t -59.63 -54.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.708 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.4 mmm -60.58 -40.65 92.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.121 0.968 . . . . 0.0 110.597 -176.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.593 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.8 -56.52 18.46 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 125.208 1.403 . . . . 0.0 108.997 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.64 -29.0 70.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.029 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 82.0 mm-40 -64.77 -57.36 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.03 -40.44 96.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.229 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.92 -29.22 68.22 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.822 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.32 -3.65 58.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.08 23.88 50.4 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.813 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -90.18 156.61 18.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.1 m -90.69 113.36 25.42 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 t -100.86 115.9 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.148 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -173.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -75.27 128.7 36.02 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.67 32.5 41.21 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.805 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 38' ' ' LEU . 15.3 tt -105.61 143.76 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.415 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -91.58 98.49 11.69 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 169.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.6 ttmt -61.94 -17.01 55.39 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 123.883 0.873 . . . . 0.0 112.385 -172.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.34 -25.7 22.61 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.89 -5.61 46.87 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.101 0.56 . . . . 0.0 111.717 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 33' ' ' ILE . 8.5 mp -78.85 -20.0 50.64 Favored 'General case' 0 CA--C 1.478 -1.814 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -92.0 74.38 5.57 Favored 'General case' 0 N--CA 1.417 -2.119 0 CA-C-O 122.725 1.25 . . . . 0.0 109.641 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mt -74.25 -34.3 36.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 CA-C-N 112.996 -1.911 . . . . 0.0 111.255 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -81.26 -8.91 59.83 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.65 54.99 32.49 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-N 115.532 -0.758 . . . . 0.0 113.849 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -114.72 -19.43 11.06 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.149 0.474 . . . . 0.0 111.613 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.77 5.37 47.9 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 120.637 -0.792 . . . . 0.0 114.05 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.81 132.72 21.31 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 117.388 0.594 . . . . 0.0 109.771 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.59 109.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -135.86 -179.48 5.68 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.991 -174.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.91 -14.84 61.63 Favored Glycine 0 C--O 1.225 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.637 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.1 mtm180 -71.15 -32.19 68.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.98 -37.99 64.29 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.593 HD13 ' HG2' ' A' ' 21' ' ' MET . 33.8 tp -58.33 -44.96 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.207 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.51 -39.04 86.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.021 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 38.2 mm-40 -64.25 -43.73 93.98 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.084 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.04 -47.08 88.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.038 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' LEU . 84.3 mt -56.63 -41.3 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 20.0 ttmm -58.98 -50.1 75.38 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.27 0.628 . . . . 0.0 111.372 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -61.18 -52.55 64.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.646 0.736 . . . . 0.0 110.261 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 18' ' ' ILE . 63.6 t . . . . . 0 C--N 1.3 -1.584 0 CA-C-N 114.811 -1.086 . . . . 0.0 113.436 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tt . . . . . 0 N--CA 1.433 -1.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.435 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.9 mt -64.94 124.06 21.05 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.457 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.66 -16.12 37.42 Favored Glycine 0 N--CA 1.431 -1.663 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.427 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 25.0 t70 -117.88 87.1 2.65 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 122.794 1.283 . . . . 0.0 110.321 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.82 -34.04 45.61 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 112.976 -1.92 . . . . 0.0 113.075 -172.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.59 9.83 40.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.729 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.297 4.0 p-10 47.52 60.6 3.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 126.327 1.851 . . . . 0.0 113.515 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -117.72 6.26 12.36 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.373 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.3 78.39 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 115.517 0.967 . . . . 0.0 115.517 170.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.31 150.28 10.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 117.561 0.68 . . . . 0.0 110.755 -175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.4 ' C ' HG22 ' A' ' 58' ' ' VAL . 17.0 m -78.98 99.35 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 122.118 0.961 . . . . 0.0 110.157 174.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -125.65 177.65 6.12 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.581 -177.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -62.58 -23.7 65.27 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-O 121.188 0.327 . . . . 0.0 113.223 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 20' ' ' MET . 26.7 mmt180 -63.12 -31.91 73.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 123.543 0.737 . . . . 0.0 111.537 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -68.39 -39.14 81.8 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.493 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -53.07 -43.74 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 110.267 175.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.651 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -59.66 -55.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.299 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -57.9 -41.65 83.07 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 124.177 0.923 . . . . 0.0 110.552 -177.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -55.15 -57.45 11.71 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.34 1.456 . . . . 0.0 109.267 178.276 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.47 -35.48 74.17 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.718 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 10.3 mm-40 -60.63 -58.43 8.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.827 0.704 . . . . 0.0 110.428 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.06 -41.14 95.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.011 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.03 -33.31 67.06 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.297 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.33 -14.55 55.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.61 15.97 25.63 Favored Glycine 0 N--CA 1.431 -1.645 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.958 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -88.6 149.79 23.38 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.132 0.491 . . . . 0.0 109.838 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 m -88.63 106.84 18.58 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.87 110.65 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -174.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 121.37 22.27 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 34.24 18.34 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.9 tt -106.74 146.83 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.02 96.51 10.4 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HA ' HD13 ' A' ' 38' ' ' LEU . 23.0 ttpp -61.6 -21.02 63.98 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.711 0.632 . . . . 0.0 112.452 -170.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -77.31 -29.45 53.64 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.123 0.569 . . . . 0.0 109.921 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.34 -4.51 48.43 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.1 mp -79.27 -25.95 42.42 Favored 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.59 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -87.22 77.08 9.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 122.879 1.323 . . . . 0.0 109.519 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.435 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.0 mt -73.93 -36.45 45.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 112.974 -1.921 . . . . 0.0 111.994 -172.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.64 -10.12 59.49 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.332 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.4 59.03 6.01 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.815 -0.63 . . . . 0.0 114.403 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -114.74 -12.71 12.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.467 0.634 . . . . 0.0 111.555 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 -9.71 55.11 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.416 -0.421 . . . . 0.0 113.424 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.5 152.15 50.97 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.027 0.441 . . . . 0.0 110.666 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.03 106.7 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.254 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -135.5 174.72 10.3 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.685 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.58 -15.89 64.69 Favored Glycine 0 C--O 1.221 -0.675 0 C-N-CA 121.618 -0.325 . . . . 0.0 113.33 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 49' ' ' ARG . 2.6 mmp_? -63.49 -39.8 95.4 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -67.67 -39.16 84.52 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.543 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.541 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.1 tp -59.76 -45.64 91.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.932 176.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.0 mtt -67.6 -27.76 67.18 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.554 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -69.02 -48.1 63.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.44 -47.64 81.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.041 0.936 . . . . 0.0 112.013 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 51' ' ' LEU . 57.2 mt -54.83 -45.39 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 32.4 ttpt -57.21 -50.54 72.54 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.47 0.481 . . . . 0.0 111.199 175.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -57.69 -55.78 30.38 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 123.899 0.749 . . . . 0.0 109.849 -177.441 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.414 HG21 ' CD1' ' A' ' 18' ' ' ILE . 92.4 t . . . . . 0 C--N 1.305 -1.349 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.258 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.435 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.7 tt . . . . . 0 N--CA 1.419 -2.021 0 CA-C-O 122.188 0.995 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 55.6 mt -66.32 110.67 3.15 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.575 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.13 -15.86 10.88 Favored Glycine 0 N--CA 1.425 -2.039 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 16.5 t70 -117.07 86.67 2.55 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 123.023 1.392 . . . . 0.0 109.958 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.426 HD21 ' HE3' ' A' ' 21' ' ' MET . 7.3 mp -78.54 -33.74 47.63 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 112.754 -2.021 . . . . 0.0 112.513 -172.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.37 8.27 41.13 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.473 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.358 6.5 p-10 45.59 62.07 2.35 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.625 1.97 . . . . 0.0 114.156 177.522 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -111.69 -4.81 14.58 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.075 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.25 3.79 58.68 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.523 -0.762 . . . . 0.0 114.304 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -151.17 144.88 16.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 117.536 0.668 . . . . 0.0 111.183 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -75.81 100.08 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -126.74 177.7 6.39 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.83 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.62 -23.17 66.75 Favored Glycine 0 N--CA 1.471 0.983 0 CA-C-N 116.393 -0.367 . . . . 0.0 113.698 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.8 mmt180 -65.18 -30.41 71.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.444 0.298 . . . . 0.0 110.509 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.88 -39.06 83.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.45 -45.3 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 110.376 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.645 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 16.8 t -60.06 -52.17 64.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.59 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.3 mmm -60.4 -40.56 91.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.816 0.846 . . . . 0.0 110.415 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.493 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -56.37 -56.59 19.28 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 125.071 1.348 . . . . 0.0 108.638 176.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.52 -32.27 72.31 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.37 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.8 mm-40 -62.89 -55.57 24.91 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 178.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.41 -40.95 94.03 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 -177.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.72 -27.68 65.11 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.674 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.79 -4.2 59.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.08 0.467 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.25 17.61 62.3 Favored Glycine 0 N--CA 1.432 -1.58 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.914 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -85.4 150.85 24.44 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.2 m -86.31 107.61 18.05 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.03 112.9 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -173.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -76.86 116.97 18.01 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.141 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.94 34.13 7.42 Favored Glycine 0 N--CA 1.431 -1.661 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.568 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -110.98 145.48 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -90.73 99.23 12.3 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.446 -2.428 . . . . 0.0 104.446 172.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.2 ttmm -58.9 -25.71 63.64 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.641 0.776 . . . . 0.0 111.804 -171.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -75.96 -29.67 58.35 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.104 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -4.08 43.4 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -172.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 33' ' ' ILE . 8.6 mp -79.65 -27.24 40.89 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.329 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.04 77.89 7.55 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 122.443 1.116 . . . . 0.0 108.709 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.54 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.9 mt -74.06 -35.67 42.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 113.112 -1.858 . . . . 0.0 112.33 -171.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -84.92 -8.65 58.67 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.61 57.66 8.74 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.607 -0.724 . . . . 0.0 114.25 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -115.28 -7.89 12.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 117.948 0.874 . . . . 0.0 112.115 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.33 60.78 Favored Glycine 0 N--CA 1.44 -1.042 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.252 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.72 148.14 52.33 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.07 103.19 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -134.89 177.56 7.71 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.947 -172.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.78 -18.76 62.22 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.2 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.1 mtt180 -63.52 -38.26 90.46 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -72.01 -36.3 69.67 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.367 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 55' ' ' ILE . 44.5 tp -61.41 -46.08 91.61 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.246 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.95 -33.38 75.89 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 19.4 mm-40 -64.18 -49.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.99 -47.9 81.62 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.215 1.006 . . . . 0.0 111.506 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -54.42 -46.73 70.5 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HZ3' ' HA ' ' A' ' 53' ' ' GLU . 4.4 ttpm? -59.58 -41.08 89.4 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.629 0.772 . . . . 0.0 112.722 177.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.47 -52.88 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 0.0 109.704 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 18' ' ' ILE . 75.6 t . . . . . 0 C--N 1.307 -1.243 0 C-N-CA 124.871 1.268 . . . . 0.0 113.685 -175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 1' ' ' ASN . . . . . . . . 0 CA--C 1.504 -0.639 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.0 t -87.55 -162.95 0.86 Allowed 'General case' 0 C--O 1.254 1.331 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -68.6 80.12 0.28 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.4 m -166.81 -53.91 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 105.053 -2.203 . . . . 0.0 105.053 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.425 ' O ' ' HA3' ' A' ' -3' ' ' GLY . 21.4 t-20 157.76 -57.22 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.1 m -125.37 146.55 49.54 Favored 'General case' 0 N--CA 1.404 -2.742 0 CA-C-N 112.808 -1.996 . . . . 0.0 107.422 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.6 tt -116.22 101.67 12.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 48.2 mt -64.45 115.71 5.4 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.26 -18.76 15.56 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.447 ' HB3' HG23 ' A' ' 3' ' ' ILE . 16.8 t70 -116.02 87.71 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 122.841 1.305 . . . . 0.0 110.574 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.403 HD21 ' HE3' ' A' ' 21' ' ' MET . 7.4 mp -79.28 -36.09 40.3 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 112.804 -1.998 . . . . 0.0 112.862 -173.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.23 -1.74 58.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t70 59.92 62.11 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.116 1.366 . . . . 0.0 111.078 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -119.13 -2.45 10.73 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.11 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.23 12.21 63.63 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.655 -0.702 . . . . 0.0 114.071 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -152.87 141.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-N 117.285 0.543 . . . . 0.0 111.287 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.22 97.38 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 CA-C-O 121.525 0.679 . . . . 0.0 109.702 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 62' ' ' THR . 33.0 p-10 -126.73 173.97 9.11 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.51 -176.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.22 -16.23 57.65 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 113.828 -178.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.2 mmt180 -72.99 -25.59 61.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -70.24 -37.24 74.92 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -53.5 -44.19 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.534 1.134 . . . . 0.0 110.231 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.668 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 25.5 t -57.06 -53.94 36.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.97 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.0 mmm -59.92 -41.85 92.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.442 1.097 . . . . 0.0 110.412 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.563 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -54.15 -58.28 7.96 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 125.326 1.451 . . . . 0.0 108.949 176.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.03 -31.57 71.98 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.597 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 28.7 mm-40 -62.46 -56.5 17.57 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.58 -42.23 91.96 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.928 -176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 21' ' ' MET . 91.7 mt -56.28 -39.95 73.49 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.979 0.799 . . . . 0.0 111.245 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.73 -18.95 60.93 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.914 0.485 . . . . 0.0 111.431 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.41 19.96 10.81 Favored Glycine 0 N--CA 1.415 -2.723 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.88 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.71 152.96 21.74 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -93.14 110.71 22.21 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.15 110.73 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.301 -171.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -76.15 124.38 27.34 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.74 24.41 27.98 Favored Glycine 0 CA--C 1.498 -1.019 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.51 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 tt -102.91 153.28 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.808 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.66 97.0 8.65 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.2 ttpt -63.59 -16.81 61.89 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -86.78 -21.74 26.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.01 -4.81 54.17 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.579 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.3 mp -77.98 -28.45 49.33 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.273 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -86.39 78.15 9.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.644 1.212 . . . . 0.0 109.747 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.6 mt -74.68 -36.37 40.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 CA-C-N 113.192 -1.822 . . . . 0.0 112.314 -173.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -81.53 -10.79 59.38 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.527 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.82 58.66 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.918 -0.583 . . . . 0.0 114.155 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -114.64 -10.51 12.48 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 122.439 -0.448 . . . . 0.0 111.053 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.65 -3.72 61.21 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 116.107 -0.497 . . . . 0.0 113.246 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.99 149.72 52.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.835 0.35 . . . . 0.0 110.738 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.58 105.56 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -135.83 177.28 7.95 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.83 -174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -68.45 -18.08 71.28 Favored Glycine 0 C--O 1.217 -0.938 0 C-N-CA 121.729 -0.272 . . . . 0.0 112.638 -177.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 28.0 mmm180 -59.89 -41.21 91.13 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -69.57 -37.12 76.86 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.028 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD13 ' HG2' ' A' ' 21' ' ' MET . 28.3 tp -59.61 -44.93 93.26 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.525 176.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 91.2 mtp -65.62 -36.74 84.58 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.154 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 60.8 mm-40 -65.87 -38.96 90.18 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 122.899 0.48 . . . . 0.0 110.486 174.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.02 -47.23 81.08 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.308 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.6 mt -55.88 -41.64 67.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.8 ttmt -55.9 -50.53 70.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.231 175.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.8 mmmt -64.01 -52.72 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.717 0.77 . . . . 0.0 111.069 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 18' ' ' ILE . 75.0 t -68.34 -33.14 58.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.909 -175.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.6 t -69.31 -33.64 73.46 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -80.71 -48.59 12.35 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.931 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -90.67 -71.44 0.63 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -173.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 14' ' ' ASN . 96.9 m -150.94 128.14 11.23 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -176.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.423 -1.819 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 176.609 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.9 m -68.78 -41.87 78.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.501 0.667 . . . . 0.0 109.769 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -115.0 103.36 10.84 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.76 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 44.6 m -131.44 84.57 2.19 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 53.6 t30 158.57 -43.97 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 m -96.27 128.62 43.36 Favored 'General case' 0 N--CA 1.404 -2.736 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.067 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.4 tt -117.03 106.1 19.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.029 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.39 113.42 2.91 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.475 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.62 -16.59 21.36 Favored Glycine 0 N--CA 1.427 -1.917 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.975 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.7 t0 -118.87 87.97 2.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.897 1.332 . . . . 0.0 109.764 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 17' ' ' ASP . 6.8 mp -78.79 -37.0 42.0 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 112.865 -1.971 . . . . 0.0 111.8 -172.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -87.32 -4.1 59.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.468 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 57.97 62.67 1.99 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.907 1.283 . . . . 0.0 111.383 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -115.4 -6.13 12.31 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.763 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.82 53.08 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.725 -0.671 . . . . 0.0 114.772 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 p -156.23 149.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.74 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -78.34 97.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 122.036 0.922 . . . . 0.0 109.913 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -126.04 176.32 7.1 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.031 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.3 -21.67 64.52 Favored Glycine 0 N--CA 1.472 1.076 0 N-CA-C 113.708 0.243 . . . . 0.0 113.708 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -63.15 -32.14 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.485 0.714 . . . . 0.0 110.704 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' HB3' HD13 ' A' ' 7' ' ' LEU . 55.2 m-20 -69.47 -38.95 77.94 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.942 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.46 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -53.12 -42.39 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.228 1.011 . . . . 0.0 110.442 175.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.619 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 24.3 t -60.48 -52.7 58.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.81 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 69.6 mmm -62.13 -38.8 90.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.77 0.828 . . . . 0.0 110.598 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.564 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -54.61 -56.54 17.96 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 125.4 1.48 . . . . 0.0 108.971 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -63.76 -33.92 76.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.284 -1.325 . . . . 0.0 112.841 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.5 mm-40 -59.61 -57.37 13.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.354 0.597 . . . . 0.0 110.285 177.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -66.37 -41.42 89.48 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.954 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.46 -33.32 67.83 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.781 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.81 -1.88 48.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.039 0.447 . . . . 0.0 111.234 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.01 18.69 57.46 Favored Glycine 0 N--CA 1.43 -1.739 0 CA-C-N 116.161 -0.472 . . . . 0.0 113.155 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -89.08 154.52 20.11 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.002 0.43 . . . . 0.0 110.669 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m -90.61 113.74 25.85 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.74 115.91 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 p -76.25 117.51 18.01 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.2 34.11 13.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.134 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt -103.7 146.29 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -89.78 97.84 11.42 Favored 'General case' 0 CA--C 1.482 -1.651 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -53.03 -28.6 25.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.051 0.94 . . . . 0.0 112.753 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -86.06 -18.75 31.58 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -173.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.24 -9.08 59.06 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 7' ' ' LEU . 7.8 mp -77.03 -25.75 52.94 Favored 'General case' 0 C--O 1.199 -1.579 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.721 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.27 76.09 9.22 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 122.995 1.378 . . . . 0.0 109.67 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -75.0 -34.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.202 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -82.74 -8.87 59.56 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.96 58.42 6.8 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 114.924 0.73 . . . . 0.0 114.924 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -115.19 -18.22 11.19 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 117.128 0.464 . . . . 0.0 111.255 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.9 -1.14 51.79 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 121.303 -0.475 . . . . 0.0 113.486 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.26 152.2 51.93 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 122.486 -0.42 . . . . 0.0 110.18 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.68 105.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -135.47 175.98 9.09 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.05 -20.89 69.35 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-N 116.55 -0.295 . . . . 0.0 112.444 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -60.55 -40.12 90.4 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.05 0.54 . . . . 0.0 109.808 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -69.42 -39.69 77.71 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.884 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD13 ' HG2' ' A' ' 21' ' ' MET . 37.2 tp -58.39 -44.79 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.593 175.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.13 -40.58 94.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.524 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 68.0 mm-40 -64.73 -40.9 96.1 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 176.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.24 -47.03 84.19 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 122.804 0.442 . . . . 0.0 110.824 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.19 -40.81 82.01 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -58.18 -43.08 87.33 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.358 1.063 . . . . 0.0 111.523 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.8 mmmt -68.1 -49.56 60.45 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.845 0.458 . . . . 0.0 110.893 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG21 ' CD1' ' A' ' 18' ' ' ILE . 69.9 t -69.87 -35.35 64.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 123.787 0.835 . . . . 0.0 112.302 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.4 m -71.11 -20.95 62.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.338 0.589 . . . . 0.0 110.216 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -80.98 -48.62 12.01 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.179 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -159.74 132.0 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.943 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 m 77.02 137.66 0.06 Allowed 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 125.916 1.686 . . . . 0.0 113.652 174.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 C--O 1.25 1.082 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 176.609 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.961 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.5 p -134.99 96.42 3.51 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 116.911 0.355 . . . . 0.0 111.153 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 67.43 -72.43 0.09 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.332 1.453 . . . . 0.0 112.7 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 44.1 m -124.23 108.66 12.5 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -132.49 91.07 2.87 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.5 m -79.38 115.89 19.3 Favored 'General case' 0 N--CA 1.413 -2.3 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.092 174.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.6 tt -120.77 107.61 20.97 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.077 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.43 118.47 5.2 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.978 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.85 -20.85 23.89 Favored Glycine 0 N--CA 1.424 -2.122 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.288 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 3' ' ' ILE . 4.0 t70 -111.81 93.04 4.26 Favored 'General case' 0 N--CA 1.414 -2.263 0 CA-C-O 122.211 1.005 . . . . 0.0 109.569 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 7.1 mp -79.25 -35.77 40.94 Favored 'General case' 0 C--N 1.279 -2.47 0 CA-C-N 113.804 -1.544 . . . . 0.0 112.537 -173.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -90.46 -3.29 57.75 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.501 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 t0 58.49 64.42 1.47 Allowed 'General case' 0 C--O 1.242 0.664 0 CA-C-O 122.562 1.172 . . . . 0.0 112.344 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.0 p30 -118.87 -6.3 10.55 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.877 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.24 10.8 70.58 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 115.083 0.793 . . . . 0.0 115.083 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.35 124.8 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.57 0 CA-C-O 121.247 0.546 . . . . 0.0 110.793 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 57' ' ' LYS . 22.3 m -70.87 97.86 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 CA-C-O 121.654 0.74 . . . . 0.0 110.133 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.71 -171.09 2.33 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.54 -24.24 70.87 Favored Glycine 0 C--N 1.313 -0.75 0 CA-C-N 115.656 -0.702 . . . . 0.0 114.447 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.0 mmt180 -65.78 -29.67 70.2 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 117.326 0.563 . . . . 0.0 110.083 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.17 -41.99 76.46 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.43 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.8 -42.35 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.703 1.201 . . . . 0.0 110.566 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.627 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.6 t -62.93 -53.02 52.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.909 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 75.6 mmm -60.16 -38.25 82.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.833 0.853 . . . . 0.0 110.749 -177.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.54 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.9 tpt -55.62 -56.56 18.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 124.967 1.307 . . . . 0.0 108.859 177.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.63 -29.38 70.39 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.582 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.5 mm-40 -62.78 -57.75 9.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.025 0.44 . . . . 0.0 109.839 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.84 -42.86 94.58 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.642 -176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.112 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.56 -11.98 60.61 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 120.844 0.354 . . . . 0.0 111.481 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 22.56 18.56 Favored Glycine 0 N--CA 1.424 -2.164 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -96.77 151.17 19.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.6 m -91.17 113.03 25.19 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.92 114.43 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -174.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -76.42 120.25 21.4 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.588 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.27 17.31 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.5 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -102.35 144.45 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.94 96.39 10.66 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.4 ttmt -55.79 -31.5 62.67 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -170.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -78.64 -15.86 58.01 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.96 -5.07 58.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.963 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.1 mp -80.75 -27.14 36.91 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.333 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.44 77.34 9.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.805 1.288 . . . . 0.0 109.658 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -74.35 -36.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.084 -173.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -81.15 -11.55 59.43 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.539 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.78 58.33 5.85 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.268 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -114.57 -14.39 12.09 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.142 -0.622 . . . . 0.0 110.736 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.12 -11.22 55.43 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.407 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 154.68 41.92 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 117.29 0.545 . . . . 0.0 110.405 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -95.0 105.27 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -135.71 178.44 7.04 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.26 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.91 68.8 Favored Glycine 0 C--O 1.224 -0.519 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.725 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -65.66 -39.95 91.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.74 -40.57 84.16 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.427 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.54 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.1 tp -57.39 -46.95 82.89 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.072 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.2 mtt -66.94 -31.54 72.19 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.191 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.0 mm-40 -68.22 -41.04 81.87 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.73 -45.76 91.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.337 0.655 . . . . 0.0 111.156 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.4 mt -59.85 -43.21 91.44 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.48 -47.67 72.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.057 0.943 . . . . 0.0 111.49 173.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.2 mmmt -60.22 -54.23 48.27 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.462 0.705 . . . . 0.0 110.643 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 61' ' ' ASN . 47.2 t -75.53 -28.11 19.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.694 -174.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.3 t -62.95 -33.15 74.76 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -86.31 -34.74 20.22 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.431 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 27.1 t-20 -138.87 124.7 19.78 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 63' ' ' SER . 1.6 m 72.29 -161.97 0.11 Allowed 'General case' 0 CA--C 1.572 1.793 0 C-N-CA 125.714 1.606 . . . . 0.0 110.94 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.592 ' H ' HG22 ' A' ' 62' ' ' THR . 46.0 m . . . . . 0 N--CA 1.431 -1.421 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.325 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.3 m -104.73 69.13 0.87 Allowed 'General case' 0 C--N 1.299 -1.587 0 CA-C-O 121.599 0.714 . . . . 0.0 111.045 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -106.36 134.54 49.33 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 34.3 m 79.06 -34.41 0.16 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.071 1.748 . . . . 0.0 111.083 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -108.37 73.99 0.91 Allowed 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 104.783 -2.302 . . . . 0.0 104.783 166.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m -115.82 136.82 52.68 Favored 'General case' 0 N--CA 1.406 -2.649 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.043 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.1 tt -103.31 101.06 11.65 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.472 0 CA-C-O 122.345 1.069 . . . . 0.0 108.483 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.0 mt -67.25 109.58 3.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.287 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.6 -14.88 9.19 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.698 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.487 ' HB3' HG23 ' A' ' 3' ' ' ILE . 16.0 t0 -119.0 85.07 2.3 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 123.099 1.428 . . . . 0.0 110.367 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.94 -33.66 45.16 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.359 -2.2 . . . . 0.0 111.98 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -89.53 -2.24 58.29 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.662 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.14 63.39 1.91 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.537 1.135 . . . . 0.0 111.748 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -120.9 1.41 10.44 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.681 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.03 61.96 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.89 147.34 13.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 117.363 0.581 . . . . 0.0 111.659 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.52 100.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 CA-C-O 121.994 0.902 . . . . 0.0 109.095 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -126.11 174.68 8.3 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.921 -177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.65 -19.42 62.72 Favored Glycine 0 N--CA 1.464 0.56 0 CA-C-N 116.494 -0.321 . . . . 0.0 113.843 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.3 mmt180 -66.43 -32.06 73.21 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -67.59 -38.75 84.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.744 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -53.47 -44.38 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.182 0.993 . . . . 0.0 110.234 174.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.649 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 26.5 t -58.52 -54.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.67 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.5 mmm -57.99 -41.31 82.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.236 1.015 . . . . 0.0 110.684 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.538 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.79 -57.36 11.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.479 1.512 . . . . 0.0 108.994 177.714 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -64.59 -30.81 71.84 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.75 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -62.81 -56.78 14.41 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 123.262 0.351 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -63.99 -43.49 95.54 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.566 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.54 -33.55 71.55 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.061 0.851 . . . . 0.0 112.243 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.48 59.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.808 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.5 14.33 8.97 Favored Glycine 0 N--CA 1.413 -2.836 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.531 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -89.12 151.94 21.92 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 117.401 0.601 . . . . 0.0 109.965 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.6 m -98.04 106.42 18.71 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 175.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.31 110.37 21.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.904 -171.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 t -76.13 119.57 20.23 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 19.71 25.15 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.061 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.46 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.8 tt -103.28 148.47 8.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.05 102.24 15.0 Favored 'General case' 0 CA--C 1.475 -1.928 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.3 ttpt -63.71 -22.69 67.03 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 123.7 0.625 . . . . 0.0 111.9 -172.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -75.02 -26.24 59.34 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.114 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.26 -4.27 55.03 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.574 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.2 mp -79.72 -27.3 40.65 Favored 'General case' 0 C--O 1.197 -1.681 0 O-C-N 123.775 0.672 . . . . 0.0 111.646 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -88.09 78.5 8.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.464 1.126 . . . . 0.0 109.194 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.521 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 54.2 mt -73.91 -37.68 48.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.472 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -82.95 -5.5 59.08 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.708 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.77 56.15 14.15 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.437 -0.801 . . . . 0.0 114.69 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -111.87 -8.33 14.12 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 117.359 0.579 . . . . 0.0 110.859 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.56 -6.9 59.32 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 115.916 -0.584 . . . . 0.0 113.013 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.59 151.42 51.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 0.0 111.522 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.41 106.62 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.885 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -136.67 178.26 7.21 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.218 -176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.93 -18.17 68.4 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 121.613 -0.327 . . . . 0.0 113.46 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.92 -41.44 91.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.234 0.54 . . . . 0.0 109.66 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.74 -39.86 80.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.731 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD13 ' HG2' ' A' ' 21' ' ' MET . 34.6 tp -59.04 -44.69 91.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.744 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 71.4 mtp -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.672 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 52.1 mm-40 -68.07 -39.15 83.0 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.218 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.14 -46.32 87.76 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.235 0.614 . . . . 0.0 110.932 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.9 mt -56.55 -48.88 79.67 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.507 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 64.6 tttt -51.98 -46.28 64.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.543 1.137 . . . . 0.0 112.196 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -61.51 -55.44 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.19 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.408 HG21 ' CD1' ' A' ' 18' ' ' ILE . 70.3 t -70.21 -25.79 28.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.769 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.8 m -66.63 -28.41 68.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.305 0.574 . . . . 0.0 110.088 175.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -90.6 -46.63 8.17 Favored 'General case' 0 N--CA 1.413 -2.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -132.69 126.33 32.31 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 m 64.71 161.43 0.12 Allowed 'General case' 0 CA--C 1.583 2.219 0 C-N-CA 125.241 1.416 . . . . 0.0 113.929 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.255 1.391 0 O-C-N 120.957 -1.09 . . . . 0.0 109.206 176.801 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.271 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.0 m 66.61 177.01 0.23 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.601 1.16 . . . . 0.0 111.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 70.04 84.26 0.14 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.841 1.257 . . . . 0.0 111.669 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 37.0 t 71.46 127.7 0.03 OUTLIER 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.727 1.611 . . . . 0.0 110.991 -176.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -103.29 1.34 32.72 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.5 m -81.79 118.03 22.55 Favored 'General case' 0 N--CA 1.415 -2.205 0 CA-C-O 121.696 0.76 . . . . 0.0 110.732 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.498 HG23 ' HB3' ' A' ' 6' ' ' ASP . 2.9 tt -122.43 107.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.111 0 CA-C-N 114.236 -1.347 . . . . 0.0 107.663 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 41.8 mt -61.85 111.38 1.86 Allowed 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -175.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.98 -20.53 10.67 Favored Glycine 0 N--CA 1.426 -2.002 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.027 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.498 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.2 t0 -116.73 88.77 2.97 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-O 122.971 1.367 . . . . 0.0 109.615 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.76 -38.8 37.74 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.891 -1.958 . . . . 0.0 111.866 -172.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -86.88 -3.17 59.04 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.793 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 60.29 62.48 1.58 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 122.73 1.253 . . . . 0.0 111.556 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -119.5 3.54 11.23 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.769 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.48 5.24 75.66 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.091 -0.958 . . . . 0.0 114.601 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -151.28 139.65 14.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 116.962 0.381 . . . . 0.0 111.472 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.404 HG21 ' HB3' ' A' ' 57' ' ' LYS . 30.4 m -74.13 98.13 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-O 121.862 0.839 . . . . 0.0 109.055 172.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 62' ' ' THR . 32.3 p-10 -126.33 177.7 6.28 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.144 -175.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -62.04 -24.25 64.76 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.861 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.1 mmt180 -65.04 -31.72 73.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 122.666 -0.314 . . . . 0.0 110.507 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.83 -39.59 90.97 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.978 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.503 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.67 -45.12 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.548 175.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.668 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -60.51 -54.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.597 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 70.7 mmm -57.55 -42.4 82.93 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.29 1.036 . . . . 0.0 110.601 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.501 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -55.24 -57.17 12.89 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 109.199 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -30.25 71.35 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.049 -1.432 . . . . 0.0 112.569 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 30.3 mm-40 -62.8 -57.24 11.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.634 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -65.16 -41.79 94.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.51 -33.87 68.5 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.441 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.01 -0.03 26.27 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.979 0.511 . . . . 0.0 111.858 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.53 61.78 Favored Glycine 0 N--CA 1.419 -2.485 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.854 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 28' ' ' LYS . 48.9 mtpt -88.54 157.36 18.64 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 117.41 0.605 . . . . 0.0 109.58 177.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.3 m -97.84 113.64 25.49 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.2 108.97 19.21 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.388 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -76.04 116.79 17.09 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.11 32.13 8.06 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.745 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.6 tt -110.84 152.57 12.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.15 97.8 11.36 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 170.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.0 ttpt -60.02 -18.87 49.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.896 0.878 . . . . 0.0 112.687 -172.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.54 -21.75 25.24 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 122.95 0.5 . . . . 0.0 109.808 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.52 -4.23 53.15 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.043 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.2 mp -78.88 -25.48 43.9 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.85 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.13 76.99 9.18 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-O 122.637 1.208 . . . . 0.0 108.668 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.8 mt -74.17 -34.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 112.838 -1.983 . . . . 0.0 111.946 -173.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.882 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.51 58.41 5.45 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.923 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -114.66 -13.44 12.1 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 117.236 0.518 . . . . 0.0 111.046 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.98 -9.25 54.91 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.527 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.09 153.58 47.51 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 117.237 0.519 . . . . 0.0 110.573 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 38' ' ' LEU . 58.9 t -92.32 104.97 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.36 178.86 6.74 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.713 -174.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.22 -16.79 69.42 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.626 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -62.38 -42.8 99.69 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -68.06 -40.96 82.64 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.57 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.501 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.5 tp -57.65 -43.83 85.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.908 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 40.3 mtt -69.9 -29.86 67.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.143 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.3 mm-40 -70.19 -38.29 75.3 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.81 -45.01 91.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 51' ' ' LEU . 77.0 mt -57.57 -45.87 86.2 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.4 tttt -54.14 -49.49 69.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.387 1.075 . . . . 0.0 111.412 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.4 mmmt -63.43 -56.48 15.86 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.734 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 18' ' ' ILE . 71.7 t -66.02 -38.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 123.966 0.907 . . . . 0.0 113.255 -175.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.3 m -71.97 -24.07 61.53 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.537 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.71 -34.45 17.18 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.85 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -104.75 -71.15 0.75 Allowed 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.471 ' O ' HG13 ' A' ' 58' ' ' VAL . 95.5 m -151.29 138.43 19.22 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 119.32 0.964 . . . . 0.0 112.253 -172.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.44 ' OXT' ' HB2' ' A' ' 14' ' ' ASN . 2.3 p . . . . . 0 C--O 1.259 1.57 0 C-N-CA 123.216 0.606 . . . . 0.0 109.934 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.814 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.6 m -95.93 178.91 5.27 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -79.0 0.65 26.79 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.373 0.606 . . . . 0.0 112.008 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.6 m -140.65 133.42 28.94 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -89.53 70.9 7.97 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 122.657 1.218 . . . . 0.0 107.806 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 36' ' ' ASN . 88.5 m -84.89 121.87 28.36 Favored 'General case' 0 C--N 1.278 -2.522 0 CA-C-N 113.144 -1.844 . . . . 0.0 110.351 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.517 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.3 tt -114.76 106.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.369 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.988 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.7 mt -60.32 115.37 3.48 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.366 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.12 -15.34 20.88 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.2 t0 -118.53 84.76 2.24 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-O 122.612 1.196 . . . . 0.0 109.354 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.17 -37.17 46.42 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.618 -173.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -85.64 -3.83 58.99 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 59.55 63.11 1.59 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 124.572 1.17 . . . . 0.0 111.92 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -122.3 4.55 9.72 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.65 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.38 10.96 72.97 Favored Glycine 0 CA--C 1.499 -0.93 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -154.45 142.69 13.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 117.114 0.457 . . . . 0.0 110.345 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -78.7 96.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.175 0 CA-C-O 122.028 0.918 . . . . 0.0 108.94 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -125.07 174.66 7.88 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.996 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -60.79 -24.41 62.37 Favored Glycine 0 N--CA 1.47 0.9 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.24 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.2 mmt180 -64.32 -31.29 72.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.837 0.351 . . . . 0.0 110.34 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.08 -37.7 81.52 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.273 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.539 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.33 -45.06 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.117 0.967 . . . . 0.0 110.164 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.623 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.7 t -59.26 -52.71 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.657 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.7 mmm -60.02 -41.8 92.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.157 0.983 . . . . 0.0 110.462 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.2 tpt -54.37 -57.44 11.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.309 1.443 . . . . 0.0 108.679 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.47 -35.39 75.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.648 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 7.6 mm-40 -60.37 -55.34 34.75 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 120.875 0.369 . . . . 0.0 110.627 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -66.16 -41.74 89.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.932 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 21' ' ' MET . 85.0 mt -55.79 -40.22 72.38 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.0 0.813 . . . . 0.0 111.234 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.14 60.91 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.5 10.14 Favored Glycine 0 N--CA 1.422 -2.277 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.392 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -88.1 148.88 24.25 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -85.36 107.61 17.44 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.91 111.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.02 117.52 17.82 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.34 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.79 28.09 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.292 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 38' ' ' LEU . 18.3 tt -97.17 150.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -85.54 99.92 11.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 169.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.0 ttpt -69.67 -12.09 61.36 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 123.82 0.7 . . . . 0.0 112.077 -170.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.425 ' HB2' HG21 ' A' ' 2' ' ' THR . 17.7 m-80 -88.23 -24.95 23.11 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.76 35.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.145 -173.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.5 mp -78.55 -24.25 45.74 Favored 'General case' 0 CA--C 1.478 -1.827 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.297 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.02 74.64 5.55 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-O 122.832 1.301 . . . . 0.0 110.132 -175.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 33.6 mt -74.31 -28.5 22.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 112.813 -1.994 . . . . 0.0 112.185 -172.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -85.96 -9.87 56.13 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.196 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.48 51.57 47.2 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.645 -0.707 . . . . 0.0 114.8 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 p30 -114.81 -19.33 11.06 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 117.742 0.771 . . . . 0.0 110.86 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.87 -10.59 55.79 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 121.359 -0.448 . . . . 0.0 113.724 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.15 130.89 53.93 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 117.537 0.668 . . . . 0.0 109.748 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.21 107.92 14.67 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.596 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -135.55 177.36 7.88 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.724 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.75 -15.16 57.36 Favored Glycine 0 C--O 1.22 -0.751 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.025 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.5 mtm180 -67.85 -34.08 76.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -72.91 -38.49 66.86 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.541 HD13 ' HG2' ' A' ' 21' ' ' MET . 43.5 tp -58.86 -43.79 90.88 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.028 175.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 67.7 mtt -62.33 -37.51 85.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 177.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.612 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.78 -39.21 84.1 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.58 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.47 -47.69 78.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.616 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.9 mt -58.39 -44.25 88.2 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -52.8 -46.81 67.83 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.424 1.089 . . . . 0.0 111.66 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -64.49 -54.6 29.9 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.747 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 18' ' ' ILE . 59.5 t -68.24 -24.98 30.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 C-N-CA 123.657 0.783 . . . . 0.0 112.04 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.6 m -74.49 -31.73 62.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.963 0.411 . . . . 0.0 110.756 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -75.61 -34.25 60.58 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 122.212 1.006 . . . . 0.0 108.488 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -85.79 179.26 7.08 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 175.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.5 m -110.68 76.72 1.0 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.614 -1.304 . . . . 0.0 111.029 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.266 1.924 0 C-N-CA 125.545 1.538 . . . . 0.0 112.432 178.266 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.753 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 26.2 m -134.52 85.09 2.16 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 63.74 10.17 4.92 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.605 1.562 . . . . 0.0 112.182 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.0 t -178.87 163.83 1.44 Allowed 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 -174.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.13 -15.35 47.52 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.8 m -64.97 132.45 49.32 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG23 ' HB3' ' A' ' 6' ' ' ASP . 6.0 tt -128.74 103.82 10.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.464 -174.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.5 mt -60.0 118.51 6.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.767 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.45 -15.76 29.66 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.394 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.6 t0 -117.18 86.07 2.44 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-O 122.938 1.352 . . . . 0.0 109.438 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.417 HD13 ' HB3' ' A' ' 17' ' ' ASP . 6.9 mp -78.77 -36.35 43.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 112.812 -1.994 . . . . 0.0 111.72 -173.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -85.92 -4.94 59.29 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 59.37 62.37 1.81 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.708 1.242 . . . . 0.0 111.416 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -118.17 3.89 12.0 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.758 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.04 8.94 74.7 Favored Glycine 0 N--CA 1.438 -1.19 0 CA-C-N 115.026 -0.988 . . . . 0.0 114.144 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -153.5 139.73 11.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 CA-C-N 117.148 0.474 . . . . 0.0 111.269 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.43 97.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 121.463 0.649 . . . . 0.0 109.412 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 62' ' ' THR . 29.3 p-10 -126.19 177.3 6.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.776 -176.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.3 -25.6 62.81 Favored Glycine 0 N--CA 1.469 0.85 0 CA-C-N 116.11 -0.495 . . . . 0.0 114.146 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' MET . 29.7 mmt180 -63.15 -31.45 72.59 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.573 -0.369 . . . . 0.0 110.786 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' HB3' HD13 ' A' ' 7' ' ' LEU . 51.9 m-20 -65.98 -39.51 90.42 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.31 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.507 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -52.38 -45.22 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.391 1.076 . . . . 0.0 110.23 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 38.9 t -59.3 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -64.64 -39.28 93.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.058 0.943 . . . . 0.0 110.479 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.566 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -56.71 -55.37 34.97 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 124.995 1.318 . . . . 0.0 108.567 176.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -63.35 -32.38 73.79 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.292 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 15.2 mm-40 -60.9 -58.12 9.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.02 -42.41 97.13 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.002 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -57.56 -33.67 68.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 123.829 0.706 . . . . 0.0 112.239 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.31 -7.34 57.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.304 0.573 . . . . 0.0 110.923 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.82 24.14 31.02 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.102 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -96.06 152.12 18.83 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -91.07 122.42 33.7 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.33 115.73 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 t -75.6 119.86 20.23 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.45 23.02 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.2 -0.524 . . . . 0.0 113.002 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' HD11 ' A' ' 38' ' ' LEU . 18.1 tt -102.68 148.87 7.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.15 101.55 14.27 Favored 'General case' 0 CA--C 1.483 -1.615 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -24.78 66.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.869 0.843 . . . . 0.0 112.521 -171.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -82.08 -22.98 36.04 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.61 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.28 -2.35 48.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.546 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 33' ' ' ILE . 9.5 mp -79.39 -29.72 42.17 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.536 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -87.88 76.52 8.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.681 1.229 . . . . 0.0 110.08 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 39.0 mt -74.43 -33.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.604 -171.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.46 -12.02 56.82 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.305 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.32 58.31 5.59 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 115.989 -0.55 . . . . 0.0 114.148 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -114.66 -14.83 12.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.034 0.417 . . . . 0.0 111.638 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.48 55.2 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.541 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.97 156.3 41.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.992 0.396 . . . . 0.0 110.092 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.41 HG11 HD23 ' A' ' 38' ' ' LEU . 46.9 t -98.76 106.75 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.362 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.0 179.37 6.39 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.245 -173.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 -21.57 71.1 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.117 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.0 mmm-85 -54.85 -45.48 74.55 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 123.264 0.626 . . . . 0.0 109.692 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -67.59 -37.58 82.79 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.957 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.566 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.8 tp -61.78 -44.63 96.49 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.663 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.3 mtt -65.64 -33.11 75.14 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.895 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.6 mm-40 -68.14 -43.86 77.38 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.561 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.9 -47.53 85.98 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 123.646 0.779 . . . . 0.0 110.867 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.0 mt -55.33 -41.7 63.14 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 35.4 ttpt -59.61 -50.76 72.62 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 122.844 0.458 . . . . 0.0 111.357 175.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.4 mmmt -59.76 -49.58 77.17 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.876 0.846 . . . . 0.0 110.832 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 18' ' ' ILE . 86.4 t -74.26 -30.7 27.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.271 -175.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.4 p -76.53 -33.11 58.59 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.318 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -65.93 -49.56 67.54 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.213 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -95.8 -82.69 0.38 Allowed 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -174.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 14' ' ' ASN . 43.3 m -152.71 133.88 14.23 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.965 -0.459 . . . . 0.0 109.887 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.43 -1.44 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.521 177.379 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.078 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.6 t 77.26 146.64 0.09 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.471 1.509 . . . . 0.0 110.947 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -123.25 92.56 3.72 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 42.4 m 70.08 -60.5 0.48 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.599 1.56 . . . . 0.0 112.075 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -159.28 101.71 1.57 Allowed 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 36' ' ' ASN . 51.9 m -82.24 121.37 26.56 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.673 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.431 HG23 ' HB3' ' A' ' 6' ' ' ASP . 5.3 tt -119.94 102.41 12.62 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 114.557 -1.202 . . . . 0.0 108.757 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.44 117.65 4.71 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.292 0.637 . . . . 0.0 111.19 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.64 -21.89 20.42 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.7 t0 -114.99 88.36 2.85 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 122.602 1.191 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.87 -37.25 40.73 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.32 -173.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.44 -7.12 58.69 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.028 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 61.6 63.32 1.18 Allowed 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.479 1.133 . . . . 0.0 111.879 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -121.56 0.95 10.02 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.93 6.51 67.06 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 115.225 0.85 . . . . 0.0 115.225 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.0 142.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 117.339 0.57 . . . . 0.0 110.994 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.93 96.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.967 0.889 . . . . 0.0 110.006 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -125.67 179.21 5.26 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.992 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.494 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.93 -19.7 67.94 Favored Glycine 0 N--CA 1.471 0.996 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.292 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -69.67 -29.8 67.32 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -68.44 -39.66 81.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.494 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -50.77 -43.03 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 124.352 1.033 . . . . 0.0 110.64 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.642 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -61.64 -54.65 31.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.788 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.1 mmm -57.09 -42.2 80.26 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.384 1.074 . . . . 0.0 110.36 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.521 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -54.67 -57.35 11.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 125.582 1.553 . . . . 0.0 109.159 177.28 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -63.65 -33.38 75.49 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.298 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.1 mm-40 -60.51 -55.36 34.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.049 0.452 . . . . 0.0 110.72 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.71 -43.1 90.15 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.315 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.99 -35.94 71.93 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.776 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -22.74 60.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.16 0.505 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.93 25.39 6.82 Favored Glycine 0 N--CA 1.415 -2.727 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.758 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -93.01 158.64 15.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.267 0.534 . . . . 0.0 110.111 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -94.89 109.72 21.68 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.78 119.41 41.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -76.03 126.79 31.65 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.86 31.32 49.31 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.094 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.6 tt -102.35 146.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.88 99.73 12.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 169.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.511 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.1 ttmt -63.71 -16.45 61.12 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.212 1.005 . . . . 0.0 112.521 -171.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.417 ' HB2' HG21 ' A' ' 2' ' ' THR . 6.8 m-80 -89.68 -24.07 21.69 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -8.19 57.29 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.505 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 35' ' ' LYS . 7.6 mp -75.96 -28.21 57.82 Favored 'General case' 0 C--O 1.196 -1.721 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -86.19 77.45 9.56 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.877 1.322 . . . . 0.0 109.522 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mt -74.54 -37.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.63 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.455 ' HB3' ' HG3' ' A' ' 53' ' ' GLU . 21.9 p-10 -80.51 -7.93 59.38 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.585 -178.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.82 58.39 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.684 -0.689 . . . . 0.0 114.281 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -114.81 -13.91 11.99 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.398 0.599 . . . . 0.0 111.353 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.32 57.49 Favored Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.341 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.43 148.8 52.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.035 0.418 . . . . 0.0 110.655 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.73 105.01 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.004 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -135.84 176.87 8.29 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.261 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.84 -15.47 66.92 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 116.625 -0.262 . . . . 0.0 112.955 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 25.3 mmm180 -62.84 -43.7 98.09 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -68.51 -36.72 79.28 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.909 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 21' ' ' MET . 29.7 tp -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.395 176.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.09 -32.57 73.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.549 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 63.7 mm-40 -67.9 -39.27 83.63 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.441 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.62 -44.05 91.78 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -59.28 -40.27 80.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.0 ttmt -56.96 -55.25 37.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.489 0.716 . . . . 0.0 110.107 173.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.2 mmmt -55.88 -53.31 58.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.213 1.005 . . . . 0.0 112.481 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' A' ' 18' ' ' ILE . 58.3 t -69.25 -33.77 59.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.032 -177.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.4 m -70.05 -38.32 75.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 119.626 -0.83 . . . . 0.0 109.887 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -65.9 -58.82 4.69 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.689 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -67.08 -43.47 82.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.048 -176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m 76.44 125.89 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.61 1.164 . . . . 0.0 111.738 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.311 -1.068 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -178.42 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.512 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.3 m -71.72 123.01 21.65 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 123.076 0.55 . . . . 0.0 110.098 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.97 95.71 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.3 m -133.76 149.8 51.46 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.82 64.02 7.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.755 1.264 . . . . 0.0 110.241 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.1 m -126.41 139.41 53.29 Favored 'General case' 0 N--CA 1.411 -2.398 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.422 HG23 ' HB3' ' A' ' 6' ' ' ASP . 10.7 tt -105.78 101.25 12.13 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 122.187 0.994 . . . . 0.0 109.81 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 52.0 mt -68.42 111.26 4.56 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.495 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.47 -18.29 9.43 Favored Glycine 0 N--CA 1.429 -1.805 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.422 ' HB3' HG23 ' A' ' 3' ' ' ILE . 20.6 t70 -114.52 89.22 3.04 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 122.704 1.24 . . . . 0.0 110.442 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.57 -34.91 46.63 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.12 -1.854 . . . . 0.0 112.665 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -90.49 -2.2 57.91 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.6 t70 59.98 63.4 1.46 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.552 1.168 . . . . 0.0 111.653 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -118.69 -1.9 11.04 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.854 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.8 -2.25 69.45 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.569 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -146.65 138.27 18.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 117.516 0.658 . . . . 0.0 112.315 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.18 96.96 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-O 122.267 1.032 . . . . 0.0 110.182 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -125.46 -177.11 3.78 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.146 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -68.28 -20.34 73.18 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.818 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.8 mmt180 -67.16 -31.12 71.33 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 122.796 0.438 . . . . 0.0 110.288 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.8 -40.26 79.67 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.182 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.454 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -51.95 -45.42 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.105 0.962 . . . . 0.0 110.225 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.68 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 37.4 t -56.8 -54.44 29.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.731 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 78.0 mmm -61.46 -39.8 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.979 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.49 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.6 tpt -54.17 -57.96 9.16 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 125.137 1.375 . . . . 0.0 109.471 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -64.11 -31.85 73.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.368 -1.742 . . . . 0.0 112.17 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.4 mm-40 -61.24 -59.0 5.98 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.542 0.526 . . . . 0.0 109.872 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.54 -44.53 93.95 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.962 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.0 mt -57.2 -35.49 69.7 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 124.122 0.889 . . . . 0.0 112.141 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -9.21 58.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.921 0.391 . . . . 0.0 111.615 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.2 23.03 20.94 Favored Glycine 0 N--CA 1.416 -2.682 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.593 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -99.12 147.09 25.44 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.5 m -99.58 111.33 23.69 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.96 111.42 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.762 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 -171.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -73.77 117.28 15.36 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.49 6.94 46.6 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.774 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.1 tt -88.61 147.23 5.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.13 98.06 11.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HA ' HD13 ' A' ' 38' ' ' LEU . 34.8 ttmt -60.14 -25.21 65.32 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.324 0.583 . . . . 0.0 112.149 -172.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -76.62 -24.16 53.37 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.982 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.34 -3.94 57.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.657 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.7 mp -80.72 -26.88 37.14 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.13 75.04 10.38 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.636 1.208 . . . . 0.0 109.607 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.483 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.1 mt -74.62 -35.78 38.87 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.167 -174.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -80.49 -10.03 59.75 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.239 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.93 58.68 8.57 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.086 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -115.18 -15.17 11.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.118 0.459 . . . . 0.0 112.074 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.16 0.68 54.43 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.405 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.47 153.21 51.81 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -94.46 104.07 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.177 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.38 173.95 11.15 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.077 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.84 -15.64 58.22 Favored Glycine 0 N--CA 1.474 1.196 0 CA-C-N 116.608 -0.269 . . . . 0.0 113.374 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -64.36 -37.05 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -73.41 -38.13 65.68 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.49 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.6 tp -57.4 -46.75 83.13 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.922 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 81.8 mtp -65.45 -33.82 76.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.35 -40.09 85.8 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.29 -45.45 87.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.811 0.339 . . . . 0.0 110.393 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -58.59 -42.12 83.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.007 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 31.9 ttmt -55.05 -56.13 23.21 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.061 0.545 . . . . 0.0 110.265 173.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.5 mmmt -55.0 -55.9 25.73 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.922 0.889 . . . . 0.0 111.994 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 18' ' ' ILE . 53.2 t -73.73 -26.81 22.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.56 -174.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.7 m -82.57 -21.55 35.21 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.624 -0.831 . . . . 0.0 111.012 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -81.39 -36.11 29.94 Favored 'General case' 0 N--CA 1.427 -1.589 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -88.19 178.62 6.57 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.5 m -97.96 141.36 31.03 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.299 -1.618 0 CA-C-O 119.109 -0.472 . . . . 0.0 109.903 -178.93 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.021 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.5 m -156.26 129.64 8.18 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -81.69 77.93 8.48 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.002 0.906 . . . . 0.0 110.709 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.5 t -164.63 147.69 8.83 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -111.54 8.87 21.16 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.7 m -74.3 118.81 17.68 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 121.887 0.851 . . . . 0.0 111.03 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.526 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.2 tt -130.05 108.86 16.67 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.07 112.99 2.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.487 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.96 -17.43 17.46 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.526 ' HB3' HG23 ' A' ' 3' ' ' ILE . 15.7 t0 -118.68 88.8 3.0 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.014 1.388 . . . . 0.0 110.257 177.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.12 -35.73 41.73 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 112.718 -2.037 . . . . 0.0 112.467 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -90.31 -4.01 57.4 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.324 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 61.27 63.62 1.2 Allowed 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.576 1.179 . . . . 0.0 111.538 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -115.32 -8.98 12.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.553 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.38 -1.9 58.99 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-N 115.475 -0.784 . . . . 0.0 114.59 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 HD22 ' A' ' 14' ' ' ASN . 7.5 p -152.6 148.68 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.368 0 CA-C-N 118.161 0.98 . . . . 0.0 112.792 -174.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 57' ' ' LYS . 27.4 m -78.84 97.49 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.153 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.402 HD22 HG13 ' A' ' 12' ' ' VAL . 10.5 p30 -126.42 -167.54 1.73 Allowed 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.64 -0.663 . . . . 0.0 111.37 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -70.57 -21.8 77.76 Favored Glycine 0 C--O 1.223 -0.563 0 CA-C-N 115.879 -0.6 . . . . 0.0 114.207 -175.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 22.2 mmt180 -64.96 -36.09 83.27 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 121.099 0.476 . . . . 0.0 110.013 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.418 ' OD2' ' HA ' ' A' ' 6' ' ' ASP . 15.4 m-20 -63.45 -43.74 96.53 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.741 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -50.27 -44.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.246 0.966 . . . . 0.0 110.967 173.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 22.3 t -62.57 -54.46 33.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.894 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.057 0.943 . . . . 0.0 110.645 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.543 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.66 -56.27 20.88 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 125.316 1.446 . . . . 0.0 109.533 177.527 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -66.41 -31.24 71.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.481 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.4 mm-40 -59.43 -56.08 26.54 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.336 0.589 . . . . 0.0 109.974 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.57 -42.13 83.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -55.65 -39.85 71.44 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.906 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.37 63.32 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 122.885 0.474 . . . . 0.0 111.07 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.12 27.22 8.35 Favored Glycine 0 N--CA 1.42 -2.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.876 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -95.79 158.44 15.45 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -91.27 111.6 23.15 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.55 108.56 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -76.41 116.99 17.62 Favored 'General case' 0 C--N 1.282 -2.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.81 25.53 22.35 Favored Glycine 0 C--O 1.246 0.9 0 CA-C-N 116.033 -0.53 . . . . 0.0 113.427 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.9 tt -99.3 152.22 4.56 Favored 'Isoleucine or valine' 0 C--O 1.248 0.986 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -93.6 97.88 10.78 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 168.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HA ' HD13 ' A' ' 38' ' ' LEU . 38.2 ttmt -64.82 -15.13 61.36 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 123.639 0.776 . . . . 0.0 112.663 -170.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -85.13 -26.77 26.66 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.638 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.74 -2.72 37.64 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.846 0.459 . . . . 0.0 111.841 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 35' ' ' LYS . 7.8 mp -81.7 -23.09 37.01 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.808 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -87.06 72.53 10.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.733 1.254 . . . . 0.0 109.721 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.29 -35.08 38.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 113.439 -1.709 . . . . 0.0 111.774 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -81.11 -10.77 59.61 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.246 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.38 58.67 6.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 116.05 -0.523 . . . . 0.0 114.211 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -115.59 -12.59 11.58 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.489 0.645 . . . . 0.0 112.271 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.74 53.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.489 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.73 162.49 32.2 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.761 0.315 . . . . 0.0 110.456 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -102.06 111.74 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.263 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -135.05 178.58 6.92 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 122.457 0.303 . . . . 0.0 110.634 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.85 -15.42 66.86 Favored Glycine 0 CA--C 1.506 -0.511 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.038 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 52.9 mtm180 -69.18 -32.97 72.63 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -73.31 -37.38 66.19 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.835 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD13 ' HG2' ' A' ' 21' ' ' MET . 26.7 tp -58.66 -45.44 89.34 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.851 175.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 88.6 mtp -70.74 -25.21 62.82 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.658 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 39.4 mm-40 -72.2 -40.09 68.13 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 172.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.55 -45.86 88.61 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.394 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.9 mt -60.19 -40.62 84.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.831 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.271 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.3 tttt -54.96 -46.8 75.07 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.237 1.015 . . . . 0.0 110.908 173.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mmmt -64.59 -52.85 55.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.341 0.657 . . . . 0.0 111.435 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 18' ' ' ILE . 49.2 t -72.98 -25.04 21.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -176.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -73.6 -29.45 62.39 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 176.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -76.44 -46.0 28.89 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.942 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -86.63 177.45 7.36 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.635 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 m -82.73 141.55 32.31 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 173.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.302 -1.496 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.519 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.972 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.7 m 69.05 120.29 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.931 1.293 . . . . 0.0 113.289 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 68.54 -76.78 0.05 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.677 1.591 . . . . 0.0 111.472 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 45.2 t -92.4 124.32 36.36 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -132.16 28.0 4.46 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.26 0.552 . . . . 0.0 110.043 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -72.41 114.68 10.8 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-O 122.049 0.928 . . . . 0.0 111.937 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.7 tt -124.08 106.16 16.52 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.669 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.8 113.08 1.88 Allowed 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.54 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.04 -17.7 17.01 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.491 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.528 ' HB3' HG23 ' A' ' 3' ' ' ILE . 24.5 t70 -121.81 87.37 2.74 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 122.952 1.358 . . . . 0.0 109.799 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.58 -34.08 47.16 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 112.955 -1.93 . . . . 0.0 112.439 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.39 -4.0 57.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.45 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.401 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.8 t70 57.75 64.19 1.62 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 124.472 1.108 . . . . 0.0 112.2 178.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -122.68 8.56 9.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.413 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.85 10.19 81.5 Favored Glycine 0 CA--C 1.491 -1.414 0 CA-C-N 115.512 -0.767 . . . . 0.0 114.618 171.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -154.62 138.94 9.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.135 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.5 98.76 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.476 1.131 . . . . 0.0 109.599 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -125.45 177.11 6.37 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.766 -176.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -66.34 -19.15 68.24 Favored Glycine 0 C--O 1.225 -0.465 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.94 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.3 mmt180 -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -63.52 -42.18 98.47 Favored 'General case' 0 CA--C 1.491 -1.312 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.18 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.44 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -51.09 -43.28 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.175 0.99 . . . . 0.0 110.756 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.0 t -64.26 -52.14 59.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.296 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.8 mmm -57.53 -42.91 83.83 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 124.235 0.96 . . . . 0.0 110.176 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.531 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -53.79 -58.2 8.1 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 125.664 1.585 . . . . 0.0 108.911 177.056 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.93 -31.54 71.87 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.895 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 25.6 mm-40 -63.72 -54.11 40.54 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.956 0.408 . . . . 0.0 110.24 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -67.7 -40.86 84.31 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.534 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -58.82 -32.89 69.78 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.53 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.81 -10.87 59.93 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.17 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.53 20.25 32.6 Favored Glycine 0 N--CA 1.426 -1.975 0 CA-C-N 116.44 -0.345 . . . . 0.0 112.831 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -90.84 157.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -93.83 112.65 24.54 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -95.95 117.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -76.33 117.83 18.41 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.843 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.18 21.85 Favored Glycine 0 N--CA 1.436 -1.338 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.8 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 tt -101.61 143.76 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.31 95.19 10.19 Favored 'General case' 0 CA--C 1.482 -1.666 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 172.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' A' ' 38' ' ' LEU . 14.0 tmtt? -56.12 -23.75 36.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.948 0.899 . . . . 0.0 113.269 -174.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.79 -23.66 41.98 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.301 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.71 -2.26 55.85 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.8 mp -78.72 -27.75 44.94 Favored 'General case' 0 CA--C 1.495 -1.149 0 O-C-N 123.745 0.653 . . . . 0.0 111.922 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -87.1 77.82 9.03 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 122.806 1.288 . . . . 0.0 109.793 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.6 mt -73.64 -34.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.225 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -83.43 -6.31 59.42 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.105 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.51 58.25 13.12 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.647 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -110.49 -15.21 13.96 Favored 'General case' 0 C--N 1.309 -1.153 0 O-C-N 122.363 -0.492 . . . . 0.0 111.196 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.01 4.34 48.07 Favored Glycine 0 N--CA 1.44 -1.096 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.848 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.77 147.93 32.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.464 0.632 . . . . 0.0 111.126 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.45 104.34 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.678 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -136.63 177.53 7.78 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.025 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -20.33 66.69 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.153 -0.476 . . . . 0.0 113.127 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -59.12 -41.38 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -69.69 -39.32 77.02 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.994 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.531 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.3 tp -59.38 -45.49 91.3 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 124.173 0.921 . . . . 0.0 109.468 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.69 -33.54 75.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.628 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 25.7 mm-40 -67.86 -37.99 82.55 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.74 -43.92 87.51 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.583 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -59.16 -44.17 91.16 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.784 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.0 tttt -53.21 -43.53 67.29 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 124.8 1.24 . . . . 0.0 111.632 173.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -68.16 -49.23 62.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 18' ' ' ILE . 44.6 t -83.83 -14.87 11.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-O 122.156 0.979 . . . . 0.0 112.687 -174.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.4 p -76.78 -32.47 57.7 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.102 -0.999 . . . . 0.0 108.417 170.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -72.65 -60.57 2.17 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.869 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -97.74 103.24 15.16 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 174.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 t -94.27 139.54 30.92 Favored 'General case' 0 C--N 1.273 -2.752 0 CA-C-O 121.725 0.774 . . . . 0.0 112.781 -168.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.419 -1.999 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.141 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.321 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 13.6 m -72.85 112.58 9.02 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.394 0.678 . . . . 0.0 110.574 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 49.9 70.25 0.52 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.551 1.14 . . . . 0.0 113.125 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 46.7 m -156.0 143.71 19.53 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -83.28 -92.56 0.07 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 174.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 m -127.11 114.85 18.28 Favored 'General case' 0 N--CA 1.402 -2.827 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.516 HG23 ' HB3' ' A' ' 6' ' ' ASP . 6.3 tt -100.93 101.9 12.72 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.397 0 CA-C-O 122.041 0.924 . . . . 0.0 109.887 -177.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 51.3 mt -64.73 112.72 3.35 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.718 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.0 -15.94 12.18 Favored Glycine 0 N--CA 1.426 -1.974 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.541 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 24.5 t70 -117.27 86.49 2.52 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 122.734 1.254 . . . . 0.0 109.671 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.44 -33.0 48.8 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.002 -1.908 . . . . 0.0 112.903 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -92.06 3.15 55.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.208 0.527 . . . . 0.0 110.499 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.541 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.411 5.1 p-10 47.34 57.57 5.7 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 126.811 2.044 . . . . 0.0 114.616 179.236 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -110.37 0.59 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.198 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.17 59.0 Favored Glycine 0 CA--C 1.502 -0.733 0 N-CA-C 115.192 0.837 . . . . 0.0 115.192 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.33 138.82 6.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 117.947 0.873 . . . . 0.0 111.414 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.1 98.41 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-O 122.673 1.225 . . . . 0.0 110.377 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -125.16 177.4 6.13 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 114.626 -1.17 . . . . 0.0 113.198 -175.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -64.03 -24.81 68.93 Favored Glycine 0 N--CA 1.467 0.752 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.529 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.593 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.0 mmt180 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.787 0.835 . . . . 0.0 110.353 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -66.81 -40.93 88.22 Favored 'General case' 0 CA--C 1.488 -1.441 0 C-N-CA 122.804 0.442 . . . . 0.0 110.142 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.464 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -50.2 -47.42 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 124.354 1.034 . . . . 0.0 110.144 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.682 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 14.2 t -59.15 -54.71 30.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.677 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.8 mmm -57.1 -41.86 79.68 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.262 0.976 . . . . 0.0 110.771 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.551 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.5 tpt -56.02 -56.87 15.5 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.227 1.411 . . . . 0.0 109.41 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 69.0 mtp180 -68.54 -23.22 64.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 113.973 -1.467 . . . . 0.0 112.012 -173.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.2 mm-40 -67.53 -57.27 6.79 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.33 -41.2 98.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 21' ' ' MET . 89.3 mt -56.99 -36.91 70.91 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.475 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 -14.25 58.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.435 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.21 19.69 22.8 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 116.268 -0.424 . . . . 0.0 113.17 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.39 151.74 19.57 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 122.353 -0.498 . . . . 0.0 109.716 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.5 m -82.55 126.36 32.19 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 174.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.02 114.49 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.084 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -75.77 122.02 23.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.153 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.2 34.38 14.73 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.397 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.447 HD11 HD11 ' A' ' 38' ' ' LEU . 15.0 tt -107.99 144.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-O 121.028 0.442 . . . . 0.0 110.355 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -92.5 96.86 10.47 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.2 ttmt -60.16 -19.6 54.65 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.938 0.773 . . . . 0.0 112.458 -173.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -84.69 -21.76 30.04 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.252 0.621 . . . . 0.0 110.314 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.65 0.7 51.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.74 0.305 . . . . 0.0 111.641 -174.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.1 mp -80.8 -26.06 37.42 Favored 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.739 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.53 78.03 9.28 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.675 1.226 . . . . 0.0 109.351 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.553 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 47.4 mt -74.11 -37.44 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.545 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.16 -11.71 59.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.186 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 58.87 5.56 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.523 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -112.95 -9.51 13.61 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.352 0.576 . . . . 0.0 110.762 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.3 -10.79 54.59 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.517 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.16 162.24 32.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.556 0.678 . . . . 0.0 111.671 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -97.97 105.94 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 49' ' ' ARG . 8.7 p30 -136.14 -178.31 5.09 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.629 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.78 -17.38 73.15 Favored Glycine 0 C--O 1.216 -0.98 0 CA-C-N 116.505 -0.316 . . . . 0.0 112.752 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 27.3 mmt180 -58.88 -41.83 88.03 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -69.18 -39.21 78.85 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.93 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.551 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.0 tp -61.09 -43.51 98.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.923 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.1 mtt -64.92 -37.81 88.89 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.774 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 60.8 mm-40 -66.41 -40.44 89.59 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 175.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.56 -45.57 93.6 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.835 0.454 . . . . 0.0 110.207 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -57.08 -44.72 83.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.499 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 34.2 ttmt -54.24 -50.92 66.06 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.513 0.725 . . . . 0.0 111.028 174.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.7 mmmt -63.36 -55.49 24.08 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.097 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 18' ' ' ILE . 61.7 t -69.71 -33.1 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.356 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.648 -174.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 t -67.95 -35.81 79.02 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.284 0.564 . . . . 0.0 109.711 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -67.89 -43.36 79.5 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.451 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.06 -34.75 61.85 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.716 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.9 m 74.75 101.95 0.07 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.756 1.623 . . . . 0.0 111.581 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.425 -1.705 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 179.682 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.759 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.1 p -92.64 -5.8 50.71 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.064 0.459 . . . . 0.0 110.536 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.35 68.68 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 121.363 0.601 . . . . 0.0 110.528 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.9 t -102.58 168.59 9.18 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -90.47 75.73 6.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 122.527 1.156 . . . . 0.0 109.523 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.7 m -101.03 118.57 37.26 Favored 'General case' 0 C--N 1.269 -2.917 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.102 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.485 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.1 tt -123.47 109.45 23.37 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 48.3 mt -60.9 112.64 2.13 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.437 -176.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.68 -21.72 11.26 Favored Glycine 0 N--CA 1.42 -2.368 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.519 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 3' ' ' ILE . 20.7 t70 -113.66 89.44 3.09 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 122.88 1.324 . . . . 0.0 109.694 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.85 -36.54 42.19 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.857 -1.974 . . . . 0.0 112.263 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.98 -7.03 56.77 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.031 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.2 t70 65.09 64.27 0.64 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.307 1.051 . . . . 0.0 111.658 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -120.77 -1.15 10.02 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.31 1.03 69.7 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.734 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -150.46 143.71 17.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 117.894 0.847 . . . . 0.0 112.097 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 m -70.48 96.72 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-O 121.97 0.89 . . . . 0.0 109.774 171.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -125.67 177.97 5.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.262 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -62.39 -22.39 63.36 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.521 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.0 mmt180 -63.89 -34.47 78.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.038 0.535 . . . . 0.0 110.928 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.99 -38.57 82.83 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.129 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.503 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.46 -43.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 124.157 0.911 . . . . 0.0 110.487 174.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 17.8 t -61.36 -53.06 53.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.321 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 77.3 mmm -58.68 -42.16 87.88 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.833 0.853 . . . . 0.0 110.471 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.528 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -55.25 -57.93 9.79 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.64 -32.91 73.09 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.852 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.4 mm-40 -62.07 -58.55 7.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.242 0.544 . . . . 0.0 110.514 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.98 -43.62 92.02 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.879 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 21' ' ' MET . 90.8 mt -55.91 -33.94 65.12 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.601 0.76 . . . . 0.0 112.144 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.24 -14.32 59.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.06 10.92 29.12 Favored Glycine 0 N--CA 1.418 -2.555 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.1 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -88.99 149.69 23.15 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -92.12 111.47 23.04 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.56 121.94 40.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 t -75.87 127.96 34.11 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 34.59 25.42 Favored Glycine 0 N--CA 1.432 -1.577 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.618 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -108.58 143.57 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.63 98.04 11.54 Favored 'General case' 0 CA--C 1.485 -1.555 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.7 ttmm -54.62 -31.48 57.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.831 0.852 . . . . 0.0 112.336 -173.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -79.69 -17.93 52.48 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.208 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.61 59.05 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.521 0.2 . . . . 0.0 111.031 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.2 mp -77.09 -26.92 53.93 Favored 'General case' 0 CA--C 1.483 -1.606 0 O-C-N 123.994 0.808 . . . . 0.0 111.303 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.36 76.1 8.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.922 1.344 . . . . 0.0 109.029 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 46.7 mt -74.15 -33.9 36.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-N 112.625 -2.08 . . . . 0.0 111.97 -172.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -82.96 -10.52 58.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.106 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.06 58.5 7.35 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.939 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -114.84 -11.54 12.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.534 0.667 . . . . 0.0 111.522 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.49 -3.48 57.85 Favored Glycine 0 N--CA 1.438 -1.202 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.387 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.92 150.51 52.04 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 122.296 -0.532 . . . . 0.0 110.383 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -93.35 101.42 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.857 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -135.92 177.78 7.56 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.535 -172.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.91 -17.2 67.24 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.628 -0.26 . . . . 0.0 113.067 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.83 -40.43 95.27 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -70.03 -38.67 75.94 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.854 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.3 tp -59.18 -45.69 90.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.641 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.52 -28.08 68.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.079 0.466 . . . . 0.0 111.521 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.651 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 27.0 mm-40 -71.72 -45.44 61.79 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.208 174.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.32 -47.25 84.32 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 124.121 0.888 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 51' ' ' LEU . 75.6 mt -56.78 -41.38 75.2 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.531 0 O-C-N 123.819 0.699 . . . . 0.0 109.349 176.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -59.71 -43.97 93.91 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.7 -49.58 61.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.443 0.697 . . . . 0.0 110.687 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 18' ' ' ILE . 61.9 t -72.0 -31.43 40.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.061 -177.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -77.09 -13.85 59.89 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -84.69 -50.14 7.89 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -85.26 -92.34 0.09 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.069 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.5 m -164.38 146.1 8.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.432 -1.355 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.377 177.619 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.709 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 49.0 m -94.48 139.79 30.68 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.41 64.9 7.28 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.939 0.876 . . . . 0.0 109.887 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 36.5 m -161.81 141.92 10.32 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 125.683 1.593 . . . . 0.0 106.76 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -124.4 83.35 2.14 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.6 m -101.18 140.09 35.96 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.724 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.0 tt -122.3 101.66 10.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 121.54 0.686 . . . . 0.0 109.894 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 70.6 mt -62.57 114.12 3.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.84 -23.88 9.84 Favored Glycine 0 N--CA 1.427 -1.925 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.411 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -111.49 88.3 2.76 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 122.695 1.236 . . . . 0.0 109.917 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.61 -37.69 41.76 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 113.208 -1.814 . . . . 0.0 112.2 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -85.26 -6.61 59.25 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.625 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.9 t70 60.76 63.39 1.32 Allowed 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.676 1.19 . . . . 0.0 111.736 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -118.63 -2.3 11.0 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.751 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.75 1.9 63.32 Favored Glycine 0 CA--C 1.505 -0.562 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.161 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.458 HG23 ' OD1' ' A' ' 61' ' ' ASN . 2.8 p -146.0 137.66 19.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 117.074 0.437 . . . . 0.0 111.141 -173.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 57' ' ' LYS . 11.5 m -78.14 96.59 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 121.963 0.887 . . . . 0.0 109.026 175.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.51 ' HB2' ' OXT' ' A' ' 63' ' ' SER . 37.0 p-10 -125.86 176.51 6.91 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.58 -172.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.52 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -61.16 -23.11 61.53 Favored Glycine 0 N--CA 1.478 1.434 0 CA-C-N 116.006 -0.543 . . . . 0.0 113.458 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.8 mmt180 -65.49 -31.81 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.746 0.418 . . . . 0.0 110.472 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -67.67 -37.73 82.78 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.317 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.52 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -54.0 -43.9 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.801 0.84 . . . . 0.0 110.376 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.617 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 15.0 t -59.46 -49.66 82.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.907 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.2 mmm -63.48 -40.72 97.86 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.055 0.847 . . . . 0.0 110.131 -177.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.547 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.05 -56.19 20.36 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.545 1.538 . . . . 0.0 108.641 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.79 -30.47 70.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.159 -1.382 . . . . 0.0 113.386 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.5 mm-40 -65.76 -54.8 22.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.962 0.411 . . . . 0.0 110.903 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -65.51 -41.32 93.29 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.019 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.95 -30.06 63.71 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.281 0.988 . . . . 0.0 111.732 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.65 -4.53 59.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.454 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.58 57.2 Favored Glycine 0 N--CA 1.427 -1.901 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.219 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -88.38 151.24 22.72 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 m -92.12 107.74 19.43 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -85.99 113.18 23.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 t -76.36 117.46 18.05 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.36 26.81 17.06 Favored Glycine 0 C--O 1.246 0.875 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.754 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' CD1' HD11 ' A' ' 38' ' ' LEU . 15.4 tt -107.54 149.43 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.289 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.29 100.19 12.82 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HA ' HD13 ' A' ' 38' ' ' LEU . 22.3 ttpt -61.79 -26.5 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -170.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -85.24 -11.14 55.54 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.957 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.21 -4.83 58.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.73 0.3 . . . . 0.0 111.115 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.7 mp -82.01 -29.48 32.01 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.446 -177.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.27 76.34 9.18 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 122.752 1.263 . . . . 0.0 109.346 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.451 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 43.8 mt -74.03 -33.3 35.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.893 -171.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.48 -11.35 54.49 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.077 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.2 59.05 7.79 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.883 -0.599 . . . . 0.0 113.764 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 p30 -114.36 -11.83 12.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 117.442 0.621 . . . . 0.0 111.345 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.24 -3.68 51.29 Favored Glycine 0 N--CA 1.433 -1.541 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.429 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.55 151.92 49.92 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 122.252 -0.558 . . . . 0.0 110.276 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.4 t -93.26 106.4 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.097 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -136.17 178.94 6.67 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.874 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.35 -18.74 67.81 Favored Glycine 0 C--O 1.221 -0.717 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.538 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -60.74 -37.44 81.79 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.77 -38.06 67.43 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.323 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD13 ' HG2' ' A' ' 21' ' ' MET . 43.1 tp -59.83 -43.36 94.62 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 123.973 0.795 . . . . 0.0 109.511 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.3 mtt -62.51 -40.58 97.2 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.734 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 44.4 mm-40 -65.34 -40.38 93.59 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.258 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.74 -46.62 88.85 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -55.6 -45.57 78.88 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.041 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.1 ttmt -53.78 -49.84 67.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.073 0.949 . . . . 0.0 111.254 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.1 mmmt -63.31 -55.53 23.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.696 0.799 . . . . 0.0 111.377 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 18' ' ' ILE . 89.6 t -65.97 -30.0 48.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 C-N-CA 124.322 1.049 . . . . 0.0 112.28 -176.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.0 t -70.3 -32.47 70.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.165 0.507 . . . . 0.0 110.313 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -80.84 -45.75 16.38 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 121.37 0.605 . . . . 0.0 110.572 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.458 ' OD1' HG23 ' A' ' 12' ' ' VAL . 2.4 t-20 -94.43 -163.79 1.09 Allowed 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.441 -173.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 m -78.57 108.68 12.14 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.069 0.547 . . . . 0.0 110.36 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.51 ' OXT' ' HB2' ' A' ' 14' ' ' ASN . 3.0 m . . . . . 0 C--O 1.255 1.344 0 O-C-N 123.874 0.734 . . . . 0.0 109.398 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.127 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.7 m 66.05 92.68 0.07 Allowed 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.819 1.248 . . . . 0.0 111.677 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -64.54 -41.56 96.27 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.4 t -93.29 106.52 18.47 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 171.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -61.73 -54.26 44.85 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.305 0.574 . . . . 0.0 109.595 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.0 m -107.53 116.47 32.0 Favored 'General case' 0 N--CA 1.395 -3.221 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.027 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' A' ' 6' ' ' ASP . 2.0 tt -125.03 106.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.32 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.918 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 51.8 mt -59.21 111.89 1.51 Allowed 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.137 -177.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.28 -22.7 8.84 Favored Glycine 0 N--CA 1.428 -1.893 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.475 ' HB3' HG23 ' A' ' 3' ' ' ILE . 22.8 t70 -114.9 87.77 2.72 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.032 1.396 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 17' ' ' ASP . 7.1 mp -78.95 -37.07 40.55 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.099 -173.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -87.13 -4.42 59.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.692 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.2 t70 63.71 63.15 0.87 Allowed 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.579 1.18 . . . . 0.0 111.578 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -122.59 -1.68 9.0 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.223 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.39 -1.59 73.0 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.384 -0.825 . . . . 0.0 115.042 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -146.82 144.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 117.678 0.739 . . . . 0.0 111.686 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -74.39 98.71 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-O 122.121 0.962 . . . . 0.0 110.584 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -125.99 174.38 8.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.773 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.77 -23.36 60.99 Favored Glycine 0 N--CA 1.471 0.998 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.52 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.4 mmt180 -63.86 -32.94 74.62 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.052 0.541 . . . . 0.0 110.264 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB3' HD13 ' A' ' 7' ' ' LEU . 59.9 m-20 -68.31 -39.39 82.02 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.507 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.7 mp -51.44 -43.87 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.301 1.001 . . . . 0.0 110.786 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 5.5 t -62.96 -50.74 78.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.381 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -58.89 -42.05 88.64 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.943 0.897 . . . . 0.0 110.362 -178.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.534 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -54.47 -57.48 11.16 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 125.545 1.538 . . . . 0.0 108.755 177.045 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -61.48 -36.13 79.61 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.866 -1.515 . . . . 0.0 112.627 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.1 mm-40 -58.98 -56.73 18.49 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.128 0.489 . . . . 0.0 110.305 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.84 -42.42 94.94 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.57 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.28 -39.4 72.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.629 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.41 -25.11 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.936 0.398 . . . . 0.0 111.007 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.28 15.19 8.49 Favored Glycine 0 N--CA 1.426 -1.972 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.781 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -89.63 151.92 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.12 0.486 . . . . 0.0 110.375 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -92.13 108.91 20.29 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -95.24 111.39 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.48 117.11 17.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.5 6.94 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.6 tt -111.46 149.61 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -93.91 101.94 14.03 Favored 'General case' 0 CA--C 1.475 -1.938 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 168.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.4 ttpt -64.35 -15.58 60.63 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 123.789 0.68 . . . . 0.0 112.74 -172.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -89.16 -23.57 22.41 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.47 -7.07 57.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.306 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.0 mp -76.34 -29.62 57.33 Favored 'General case' 0 C--O 1.19 -2.066 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.52 76.26 9.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.732 1.253 . . . . 0.0 109.682 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.404 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 56.4 mt -74.39 -35.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.038 -173.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -81.16 -11.76 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.226 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.52 59.09 5.92 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.55 -0.75 . . . . 0.0 114.11 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.24 -10.84 12.68 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.726 0.763 . . . . 0.0 111.343 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.39 -10.41 56.41 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.034 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.12 156.41 44.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.109 0.481 . . . . 0.0 111.062 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -94.37 105.47 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.206 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -136.04 176.9 8.27 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.907 -174.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.11 -15.55 67.61 Favored Glycine 0 C--O 1.222 -0.608 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.733 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -64.66 -41.46 96.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 38' ' ' LEU . 46.6 m-20 -68.72 -37.76 79.7 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.366 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.534 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.1 tp -58.99 -45.84 89.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.087 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.47 -36.02 82.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -66.64 -40.2 88.61 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 123.516 0.51 . . . . 0.0 110.789 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.12 -45.24 92.93 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 122.422 0.289 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 51' ' ' LEU . 90.3 mt -57.64 -44.57 85.69 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -55.06 -44.54 74.83 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.46 1.104 . . . . 0.0 111.679 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmmt -66.58 -55.63 14.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.257 0.551 . . . . 0.0 111.08 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 18' ' ' ILE . 58.8 t -69.78 -31.6 49.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.651 -175.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -72.21 -33.0 67.28 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -72.73 -43.31 63.11 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -67.44 -30.19 69.86 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.571 0.7 . . . . 0.0 110.213 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 m 79.83 -29.21 0.14 Allowed 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 126.872 2.069 . . . . 0.0 113.406 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.253 1.248 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.577 175.428 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.456 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 6.2 m -57.51 -25.68 60.2 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.778 1.631 . . . . 0.0 114.435 -173.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -80.22 -5.82 56.79 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.834 -0.541 . . . . 0.0 111.894 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.5 t -123.9 97.02 5.17 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -115.78 63.08 0.7 Allowed 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 m -126.23 130.5 51.05 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.258 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 6' ' ' ASP . 5.7 tt -117.35 102.92 14.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-O 121.369 0.604 . . . . 0.0 109.441 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.13 119.81 8.56 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.921 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.62 -17.77 25.38 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.514 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.7 t70 -116.41 85.48 2.31 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 122.989 1.376 . . . . 0.0 110.104 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.78 -36.18 43.31 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 112.749 -2.023 . . . . 0.0 112.252 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -85.93 -1.85 57.7 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.835 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 58.72 62.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.723 1.264 . . . . 0.0 111.109 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -122.9 2.6 9.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.484 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.58 3.97 68.37 Favored Glycine 0 CA--C 1.508 -0.379 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -152.08 143.84 15.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 117.64 0.72 . . . . 0.0 111.601 -176.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.61 101.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-O 122.414 1.102 . . . . 0.0 110.327 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -125.34 176.64 6.64 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.443 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.506 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -67.48 -22.07 72.93 Favored Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.887 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.5 mmt180 -62.38 -31.22 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 110.213 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.92 -40.26 75.67 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.506 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.5 mp -53.35 -43.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.191 0.996 . . . . 0.0 110.173 175.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.635 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -56.91 -53.63 40.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.549 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.2 mmm -59.32 -42.34 91.19 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.672 1.189 . . . . 0.0 110.426 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.555 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -53.24 -56.01 19.93 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 125.231 1.412 . . . . 0.0 109.365 177.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 81.8 mtp180 -67.45 -30.7 70.49 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.223 -1.353 . . . . 0.0 112.299 -174.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -61.52 -53.89 50.43 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.938 0.399 . . . . 0.0 110.056 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.86 -41.29 95.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.542 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 21' ' ' MET . 96.9 mt -57.13 -39.25 74.8 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.218 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.84 -22.75 60.74 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.141 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.14 22.89 7.98 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.501 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -95.51 156.32 16.37 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -87.44 115.61 24.98 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -91.07 117.83 35.1 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -75.29 120.35 20.65 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.761 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.05 46.19 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.737 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.501 ' CD1' HD11 ' A' ' 38' ' ' LEU . 15.3 tt -100.13 145.68 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.33 100.42 13.01 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 38' ' ' LEU . 34.1 ttmt -62.17 -16.76 55.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.33 0.652 . . . . 0.0 112.43 -172.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -84.76 -25.65 28.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.12 -5.44 57.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.116 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.3 mp -75.44 -31.17 60.23 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 124.03 0.831 . . . . 0.0 110.889 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.07 76.29 10.26 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 122.593 1.187 . . . . 0.0 110.261 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt -74.39 -35.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 113.572 -1.649 . . . . 0.0 112.172 -174.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -79.19 -11.36 59.96 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.873 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.44 58.17 8.22 Favored Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.327 -0.851 . . . . 0.0 115.121 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.03 -17.97 11.34 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 117.887 0.843 . . . . 0.0 110.022 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.35 -11.54 54.66 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.833 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.36 34.64 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 117.377 0.588 . . . . 0.0 109.584 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 107.89 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.122 0 CA-C-O 121.894 0.854 . . . . 0.0 108.723 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -135.5 172.78 12.52 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.488 -172.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.57 -17.66 64.84 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.802 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -62.8 -39.23 93.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -68.88 -40.43 79.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.219 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.555 HD13 ' HG2' ' A' ' 21' ' ' MET . 37.1 tp -58.28 -45.69 87.42 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.908 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.9 -33.77 76.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.598 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 50.5 mm-40 -66.83 -40.28 87.92 Favored 'General case' 0 C--O 1.205 -1.238 0 O-C-N 123.245 0.341 . . . . 0.0 110.327 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.146 0.579 . . . . 0.0 110.911 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 51' ' ' LEU . 93.5 mt -59.19 -40.17 80.44 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.299 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.118 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.9 tttt -61.32 -42.58 98.91 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.005 1.322 . . . . 0.0 111.274 175.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.3 mmmt -62.86 -50.96 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 110.448 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.613 ' HA ' ' O ' ' A' ' 61' ' ' ASN . 40.6 t -76.22 -16.7 15.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 122.151 0.977 . . . . 0.0 110.789 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.28 -32.59 70.45 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -84.52 -52.68 5.96 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.21 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.613 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.8 t30 -113.32 106.83 15.08 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 176.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.0 t -102.59 135.58 43.96 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 119.226 -0.989 . . . . 0.0 112.41 -175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.429 -1.476 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.976 175.444 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.374 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.1 m -83.94 -32.51 25.03 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 117.45 0.625 . . . . 0.0 112.425 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 61.59 31.26 18.81 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.327 1.061 . . . . 0.0 109.538 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.9 t -156.66 149.51 23.81 Favored 'General case' 0 N--CA 1.423 -1.812 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.4 70.39 10.64 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.908 0.861 . . . . 0.0 108.716 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.3 m -125.07 115.35 20.36 Favored 'General case' 0 N--CA 1.403 -2.785 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.588 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.9 tt -116.03 107.66 23.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.93 -178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.4 mt -63.09 112.53 2.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.183 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.6 -24.11 7.71 Favored Glycine 0 N--CA 1.417 -2.598 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.528 ' HB3' HG23 ' A' ' 3' ' ' ILE . 3.1 t70 -113.27 93.14 4.27 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-O 122.435 1.112 . . . . 0.0 109.91 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 7.9 mp -78.68 -31.7 46.78 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 113.68 -1.6 . . . . 0.0 112.795 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -92.75 -5.7 50.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.448 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 57.28 62.52 2.16 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 123.084 1.421 . . . . 0.0 111.637 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -111.23 -15.36 13.66 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.354 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.04 10.97 55.7 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 115.059 0.784 . . . . 0.0 115.059 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -156.54 124.83 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.509 0 CA-C-O 121.436 0.636 . . . . 0.0 110.893 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.24 97.32 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 CA-C-O 121.373 0.606 . . . . 0.0 111.71 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -126.16 -168.04 1.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.744 -0.598 . . . . 0.0 110.826 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.73 -24.53 72.76 Favored Glycine 0 C--O 1.224 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 114.289 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.629 ' O ' ' HG2' ' A' ' 20' ' ' MET . 39.0 mmt180 -63.41 -32.69 74.19 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-O 120.825 0.345 . . . . 0.0 111.046 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' OD1' ' HA ' ' A' ' 6' ' ' ASP . 14.9 m-20 -67.08 -43.12 83.38 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.248 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -52.13 -43.94 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.434 1.093 . . . . 0.0 110.707 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.0 t -60.73 -55.21 26.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.789 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.629 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 68.6 mmm -58.03 -40.42 80.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.946 0.898 . . . . 0.0 110.402 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.603 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.33 -56.84 14.48 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 109.089 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -67.47 -28.13 67.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.878 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 26.8 mm-40 -64.5 -52.54 57.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.27 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -65.63 -41.75 92.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.819 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 21' ' ' MET . 94.2 mt -60.57 -25.02 65.88 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.238 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.59 -9.06 53.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.145 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 24.46 35.22 Favored Glycine 0 N--CA 1.435 -1.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.285 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.03 153.54 18.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -84.68 115.29 22.59 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.99 117.68 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 t -75.84 126.5 31.12 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.112 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.17 34.08 64.66 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.89 -0.596 . . . . 0.0 113.244 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.404 HD11 HD11 ' A' ' 38' ' ' LEU . 15.9 tt -98.93 149.52 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.843 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -96.55 97.79 9.68 Favored 'General case' 0 N--CA 1.418 -2.049 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HA ' HD13 ' A' ' 38' ' ' LEU . 31.9 ttpt -58.39 -21.71 51.34 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 124.326 1.051 . . . . 0.0 112.226 -173.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.74 -21.01 28.45 Favored 'General case' 0 N--CA 1.437 -1.099 0 O-C-N 122.181 -0.324 . . . . 0.0 110.505 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.74 -3.91 58.2 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 120.875 0.369 . . . . 0.0 111.433 -174.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.0 mp -77.6 -31.72 53.17 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.834 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -83.93 77.84 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.788 1.28 . . . . 0.0 110.375 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 46.1 mt -74.66 -36.12 39.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 112.972 -1.922 . . . . 0.0 111.824 -174.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -81.43 -8.7 59.77 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.479 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.77 7.59 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.935 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -114.49 -13.29 12.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.566 0.683 . . . . 0.0 111.048 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.09 -10.74 57.03 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 116.031 -0.532 . . . . 0.0 113.001 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 155.92 39.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -98.28 105.22 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.952 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.13 178.84 6.74 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.122 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.97 69.53 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 116.65 -0.25 . . . . 0.0 112.841 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.64 -40.99 89.47 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.548 0.739 . . . . 0.0 109.07 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -71.18 -39.13 72.03 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.7 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.603 HD13 ' HG2' ' A' ' 21' ' ' MET . 41.1 tp -59.22 -42.98 92.26 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.806 0.692 . . . . 0.0 109.992 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.3 mtt -65.54 -36.47 83.91 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.313 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 22.6 mm-40 -69.14 -35.6 76.55 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.12 -46.66 76.77 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -57.44 -41.64 79.07 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.9 tttt -54.35 -52.7 60.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.318 1.047 . . . . 0.0 111.137 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.4 mmmt -60.95 -54.74 41.34 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.377 0.608 . . . . 0.0 111.308 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 18' ' ' ILE . 88.5 t -69.22 -30.12 45.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 C-N-CA 124.114 0.965 . . . . 0.0 113.221 -174.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 m -79.01 -28.55 43.37 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.992 177.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -73.9 -46.38 44.93 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -76.91 158.34 30.77 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.349 -0.842 . . . . 0.0 108.973 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.3 m -78.12 100.55 6.61 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.193 0.52 . . . . 0.0 110.378 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.295 -1.763 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.533 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.716 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 48.8 m -119.05 118.33 31.15 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 117.169 0.485 . . . . 0.0 110.715 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -95.96 41.03 1.11 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.5 p -72.2 126.24 29.3 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.815 -174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -90.67 72.01 6.75 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.2 m -95.95 118.94 33.55 Favored 'General case' 0 N--CA 1.41 -2.467 0 CA-C-N 113.298 -1.773 . . . . 0.0 109.555 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.5 tt -116.93 103.15 14.59 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.233 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.19 112.96 1.91 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.663 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.03 -21.55 12.11 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.721 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.8 t70 -115.76 89.69 3.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 122.725 1.25 . . . . 0.0 109.157 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.68 -37.06 42.67 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 113.064 -1.88 . . . . 0.0 112.015 -172.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -88.71 -3.34 58.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.586 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.7 t70 60.13 64.3 1.27 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 124.398 1.061 . . . . 0.0 111.534 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -120.26 -0.18 10.5 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 4.56 66.01 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 114.544 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 p -153.2 141.06 13.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 117.407 0.603 . . . . 0.0 111.816 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.33 99.98 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-O 121.642 0.734 . . . . 0.0 109.284 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.608 ' HA ' ' O ' ' A' ' 62' ' ' THR . 27.2 p30 -125.82 179.6 5.11 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.168 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.1 -22.97 69.36 Favored Glycine 0 CA--C 1.523 0.551 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.102 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.3 mmt180 -63.32 -32.08 73.4 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.146 0.578 . . . . 0.0 110.014 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -66.84 -39.87 87.78 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.607 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.55 -43.13 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.331 1.052 . . . . 0.0 110.293 175.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.669 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.4 t -59.63 -54.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.708 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.4 mmm -60.58 -40.65 92.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.121 0.968 . . . . 0.0 110.597 -176.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.593 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.8 -56.52 18.46 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 125.208 1.403 . . . . 0.0 108.997 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.64 -29.0 70.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.029 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 82.0 mm-40 -64.77 -57.36 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.03 -40.44 96.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.229 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.92 -29.22 68.22 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.822 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.32 -3.65 58.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.08 23.88 50.4 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.813 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -90.18 156.61 18.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.1 m -90.69 113.36 25.42 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 t -100.86 115.9 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.148 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -173.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -75.27 128.7 36.02 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.67 32.5 41.21 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.805 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 38' ' ' LEU . 15.3 tt -105.61 143.76 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.415 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -91.58 98.49 11.69 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 169.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.6 ttmt -61.94 -17.01 55.39 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 123.883 0.873 . . . . 0.0 112.385 -172.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.34 -25.7 22.61 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.89 -5.61 46.87 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.101 0.56 . . . . 0.0 111.717 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 33' ' ' ILE . 8.5 mp -78.85 -20.0 50.64 Favored 'General case' 0 CA--C 1.478 -1.814 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -92.0 74.38 5.57 Favored 'General case' 0 N--CA 1.417 -2.119 0 CA-C-O 122.725 1.25 . . . . 0.0 109.641 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mt -74.25 -34.3 36.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 CA-C-N 112.996 -1.911 . . . . 0.0 111.255 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -81.26 -8.91 59.83 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.65 54.99 32.49 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-N 115.532 -0.758 . . . . 0.0 113.849 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -114.72 -19.43 11.06 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.149 0.474 . . . . 0.0 111.613 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.77 5.37 47.9 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 120.637 -0.792 . . . . 0.0 114.05 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.81 132.72 21.31 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 117.388 0.594 . . . . 0.0 109.771 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.59 109.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -135.86 -179.48 5.68 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.991 -174.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.91 -14.84 61.63 Favored Glycine 0 C--O 1.225 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.637 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.1 mtm180 -71.15 -32.19 68.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.98 -37.99 64.29 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.593 HD13 ' HG2' ' A' ' 21' ' ' MET . 33.8 tp -58.33 -44.96 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.207 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.51 -39.04 86.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.021 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 38.2 mm-40 -64.25 -43.73 93.98 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.084 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.04 -47.08 88.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.038 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' LEU . 84.3 mt -56.63 -41.3 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 20.0 ttmm -58.98 -50.1 75.38 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.27 0.628 . . . . 0.0 111.372 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -61.18 -52.55 64.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.646 0.736 . . . . 0.0 110.261 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 62' ' ' THR . 63.6 t -68.71 -39.38 80.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 CA-C-N 114.811 -1.086 . . . . 0.0 113.436 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.3 m -75.47 -14.81 60.45 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.242 0.544 . . . . 0.0 111.495 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -97.92 -32.04 11.88 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.756 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -107.61 -71.15 0.77 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -173.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.608 ' O ' ' HA ' ' A' ' 14' ' ' ASN . 86.0 m -148.87 131.61 15.99 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 118.802 0.728 . . . . 0.0 111.429 -176.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.434 -1.25 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 176.524 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.193 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.0 p -91.19 -18.35 24.59 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -83.64 105.57 14.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.779 0.323 . . . . 0.0 110.373 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 37.2 m -83.05 67.9 9.31 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.976 0.893 . . . . 0.0 110.652 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -153.4 17.6 0.54 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.3 m -124.71 128.75 49.27 Favored 'General case' 0 N--CA 1.419 -1.985 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.869 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tt -105.16 101.91 13.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-O 121.627 0.727 . . . . 0.0 110.133 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.9 mt -64.94 124.06 21.05 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.457 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.66 -16.12 37.42 Favored Glycine 0 N--CA 1.431 -1.663 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.427 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 25.0 t70 -117.88 87.1 2.65 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 122.794 1.283 . . . . 0.0 110.321 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.82 -34.04 45.61 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 112.976 -1.92 . . . . 0.0 113.075 -172.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.59 9.83 40.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.729 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.297 4.0 p-10 47.52 60.6 3.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 126.327 1.851 . . . . 0.0 113.515 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -117.72 6.26 12.36 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.373 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.3 78.39 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 115.517 0.967 . . . . 0.0 115.517 170.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.31 150.28 10.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 117.561 0.68 . . . . 0.0 110.755 -175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' C ' HG22 ' A' ' 58' ' ' VAL . 17.0 m -78.98 99.35 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 122.118 0.961 . . . . 0.0 110.157 174.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -125.65 177.65 6.12 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.581 -177.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -62.58 -23.7 65.27 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-O 121.188 0.327 . . . . 0.0 113.223 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 20' ' ' MET . 26.7 mmt180 -63.12 -31.91 73.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 123.543 0.737 . . . . 0.0 111.537 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -68.39 -39.14 81.8 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.493 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -53.07 -43.74 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 110.267 175.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.651 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -59.66 -55.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.299 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -57.9 -41.65 83.07 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 124.177 0.923 . . . . 0.0 110.552 -177.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -55.15 -57.45 11.71 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.34 1.456 . . . . 0.0 109.267 178.276 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.47 -35.48 74.17 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.718 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 10.3 mm-40 -60.63 -58.43 8.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.827 0.704 . . . . 0.0 110.428 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.06 -41.14 95.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.011 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.03 -33.31 67.06 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.297 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.33 -14.55 55.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.61 15.97 25.63 Favored Glycine 0 N--CA 1.431 -1.645 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.958 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -88.6 149.79 23.38 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.132 0.491 . . . . 0.0 109.838 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 m -88.63 106.84 18.58 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.87 110.65 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -174.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 121.37 22.27 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 34.24 18.34 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.9 tt -106.74 146.83 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.02 96.51 10.4 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HA ' HD13 ' A' ' 38' ' ' LEU . 23.0 ttpp -61.6 -21.02 63.98 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.711 0.632 . . . . 0.0 112.452 -170.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -77.31 -29.45 53.64 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.123 0.569 . . . . 0.0 109.921 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.34 -4.51 48.43 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.1 mp -79.27 -25.95 42.42 Favored 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.59 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -87.22 77.08 9.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 122.879 1.323 . . . . 0.0 109.519 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.435 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.0 mt -73.93 -36.45 45.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 112.974 -1.921 . . . . 0.0 111.994 -172.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.64 -10.12 59.49 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.332 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.4 59.03 6.01 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.815 -0.63 . . . . 0.0 114.403 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -114.74 -12.71 12.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.467 0.634 . . . . 0.0 111.555 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 -9.71 55.11 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.416 -0.421 . . . . 0.0 113.424 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.5 152.15 50.97 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.027 0.441 . . . . 0.0 110.666 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.03 106.7 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.254 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -135.5 174.72 10.3 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.685 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.58 -15.89 64.69 Favored Glycine 0 C--O 1.221 -0.675 0 C-N-CA 121.618 -0.325 . . . . 0.0 113.33 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 49' ' ' ARG . 2.6 mmp_? -63.49 -39.8 95.4 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -67.67 -39.16 84.52 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.543 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.541 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.1 tp -59.76 -45.64 91.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.932 176.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.0 mtt -67.6 -27.76 67.18 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.554 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -69.02 -48.1 63.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.44 -47.64 81.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.041 0.936 . . . . 0.0 112.013 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 51' ' ' LEU . 57.2 mt -54.83 -45.39 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 32.4 ttpt -57.21 -50.54 72.54 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.47 0.481 . . . . 0.0 111.199 175.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -57.69 -55.78 30.38 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 123.899 0.749 . . . . 0.0 109.849 -177.441 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.414 HG21 ' CD1' ' A' ' 18' ' ' ILE . 92.4 t -67.25 -38.69 81.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.258 -174.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.3 m -71.94 -30.89 65.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.19 0.519 . . . . 0.0 110.912 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -79.37 -33.23 43.08 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.009 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -77.91 -94.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.2 m -170.57 141.94 1.97 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.919 0.887 . . . . 0.0 110.002 -175.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.314 -0.955 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 169.44 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.11 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.8 t -75.73 134.92 40.37 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 69.9 -64.42 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.867 1.667 . . . . 0.0 110.907 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.9 m -155.43 -64.42 0.12 Allowed 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 175.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 59.6 t30 45.89 60.18 3.3 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 125.3 1.44 . . . . 0.0 112.027 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.438 HG21 ' HB2' ' A' ' 36' ' ' ASN . 88.6 m -124.59 126.79 46.37 Favored 'General case' 0 N--CA 1.405 -2.721 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.435 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.7 tt -92.36 100.4 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.021 0 CA-C-O 122.188 0.995 . . . . 0.0 109.602 -176.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 55.6 mt -66.32 110.67 3.15 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.575 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.13 -15.86 10.88 Favored Glycine 0 N--CA 1.425 -2.039 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 16.5 t70 -117.07 86.67 2.55 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 123.023 1.392 . . . . 0.0 109.958 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.426 HD21 ' HE3' ' A' ' 21' ' ' MET . 7.3 mp -78.54 -33.74 47.63 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 112.754 -2.021 . . . . 0.0 112.513 -172.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.37 8.27 41.13 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.473 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.358 6.5 p-10 45.59 62.07 2.35 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.625 1.97 . . . . 0.0 114.156 177.522 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -111.69 -4.81 14.58 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.075 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.25 3.79 58.68 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.523 -0.762 . . . . 0.0 114.304 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -151.17 144.88 16.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 117.536 0.668 . . . . 0.0 111.183 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -75.81 100.08 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 62' ' ' THR . 36.0 p-10 -126.74 177.7 6.39 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.83 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.62 -23.17 66.75 Favored Glycine 0 N--CA 1.471 0.983 0 CA-C-N 116.393 -0.367 . . . . 0.0 113.698 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.8 mmt180 -65.18 -30.41 71.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.444 0.298 . . . . 0.0 110.509 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.88 -39.06 83.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.45 -45.3 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 110.376 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.645 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 16.8 t -60.06 -52.17 64.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.59 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.3 mmm -60.4 -40.56 91.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.816 0.846 . . . . 0.0 110.415 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.493 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -56.37 -56.59 19.28 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 125.071 1.348 . . . . 0.0 108.638 176.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.52 -32.27 72.31 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.37 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.8 mm-40 -62.89 -55.57 24.91 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 178.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.41 -40.95 94.03 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 -177.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.72 -27.68 65.11 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.674 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.79 -4.2 59.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.08 0.467 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.25 17.61 62.3 Favored Glycine 0 N--CA 1.432 -1.58 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.914 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -85.4 150.85 24.44 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.2 m -86.31 107.61 18.05 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.03 112.9 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -173.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -76.86 116.97 18.01 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.141 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.94 34.13 7.42 Favored Glycine 0 N--CA 1.431 -1.661 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.568 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -110.98 145.48 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -90.73 99.23 12.3 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.446 -2.428 . . . . 0.0 104.446 172.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.2 ttmm -58.9 -25.71 63.64 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.641 0.776 . . . . 0.0 111.804 -171.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.438 ' HB2' HG21 ' A' ' 2' ' ' THR . 16.1 m-80 -75.96 -29.67 58.35 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.104 -176.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -4.08 43.4 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -172.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 33' ' ' ILE . 8.6 mp -79.65 -27.24 40.89 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.329 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.04 77.89 7.55 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 122.443 1.116 . . . . 0.0 108.709 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.54 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.9 mt -74.06 -35.67 42.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 113.112 -1.858 . . . . 0.0 112.33 -171.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -84.92 -8.65 58.67 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.61 57.66 8.74 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.607 -0.724 . . . . 0.0 114.25 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -115.28 -7.89 12.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 117.948 0.874 . . . . 0.0 112.115 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.33 60.78 Favored Glycine 0 N--CA 1.44 -1.042 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.252 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.72 148.14 52.33 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.07 103.19 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -134.89 177.56 7.71 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.947 -172.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.78 -18.76 62.22 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.2 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.1 mtt180 -63.52 -38.26 90.46 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -72.01 -36.3 69.67 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.367 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 55' ' ' ILE . 44.5 tp -61.41 -46.08 91.61 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.246 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.95 -33.38 75.89 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 19.4 mm-40 -64.18 -49.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.99 -47.9 81.62 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.215 1.006 . . . . 0.0 111.506 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -54.42 -46.73 70.5 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HZ3' ' HA ' ' A' ' 53' ' ' GLU . 4.4 ttpm? -59.58 -41.08 89.4 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.629 0.772 . . . . 0.0 112.722 177.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.47 -52.88 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 0.0 109.704 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 62' ' ' THR . 75.6 t -69.22 -35.94 70.36 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 C-N-CA 124.871 1.268 . . . . 0.0 113.685 -175.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.5 p -68.07 -33.88 75.38 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.514 0.673 . . . . 0.0 110.216 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -78.38 -48.58 15.22 Favored 'General case' 0 N--CA 1.424 -1.744 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -94.91 -89.16 0.24 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.496 ' O ' HG13 ' A' ' 58' ' ' VAL . 37.7 m -128.24 142.38 51.18 Favored 'General case' 0 C--O 1.202 -1.436 0 O-C-N 122.118 -0.364 . . . . 0.0 110.507 -170.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.494 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.6 tt . . . . . 0 N--CA 1.431 -1.382 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 48.2 mt -64.45 115.71 5.4 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.26 -18.76 15.56 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.447 ' HB3' HG23 ' A' ' 3' ' ' ILE . 16.8 t70 -116.02 87.71 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 122.841 1.305 . . . . 0.0 110.574 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.403 HD21 ' HE3' ' A' ' 21' ' ' MET . 7.4 mp -79.28 -36.09 40.3 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 112.804 -1.998 . . . . 0.0 112.862 -173.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.23 -1.74 58.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t70 59.92 62.11 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.116 1.366 . . . . 0.0 111.078 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -119.13 -2.45 10.73 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.11 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.23 12.21 63.63 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.655 -0.702 . . . . 0.0 114.071 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -152.87 141.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-N 117.285 0.543 . . . . 0.0 111.287 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.22 97.38 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 CA-C-O 121.525 0.679 . . . . 0.0 109.702 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -126.73 173.97 9.11 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.51 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.22 -16.23 57.65 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 113.828 -178.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.2 mmt180 -72.99 -25.59 61.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -70.24 -37.24 74.92 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -53.5 -44.19 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.534 1.134 . . . . 0.0 110.231 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.668 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 25.5 t -57.06 -53.94 36.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.97 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.0 mmm -59.92 -41.85 92.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.442 1.097 . . . . 0.0 110.412 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.563 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -54.15 -58.28 7.96 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 125.326 1.451 . . . . 0.0 108.949 176.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.03 -31.57 71.98 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.597 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 28.7 mm-40 -62.46 -56.5 17.57 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.58 -42.23 91.96 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.928 -176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 21' ' ' MET . 91.7 mt -56.28 -39.95 73.49 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.979 0.799 . . . . 0.0 111.245 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.73 -18.95 60.93 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.914 0.485 . . . . 0.0 111.431 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.41 19.96 10.81 Favored Glycine 0 N--CA 1.415 -2.723 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.88 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.71 152.96 21.74 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -93.14 110.71 22.21 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.15 110.73 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.301 -171.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -76.15 124.38 27.34 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.74 24.41 27.98 Favored Glycine 0 CA--C 1.498 -1.019 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.51 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 tt -102.91 153.28 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.808 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.66 97.0 8.65 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.2 ttpt -63.59 -16.81 61.89 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -86.78 -21.74 26.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.01 -4.81 54.17 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.579 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.3 mp -77.98 -28.45 49.33 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.273 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -86.39 78.15 9.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.644 1.212 . . . . 0.0 109.747 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.6 mt -74.68 -36.37 40.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 CA-C-N 113.192 -1.822 . . . . 0.0 112.314 -173.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -81.53 -10.79 59.38 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.527 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.82 58.66 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.918 -0.583 . . . . 0.0 114.155 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -114.64 -10.51 12.48 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 122.439 -0.448 . . . . 0.0 111.053 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.65 -3.72 61.21 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 116.107 -0.497 . . . . 0.0 113.246 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.99 149.72 52.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.835 0.35 . . . . 0.0 110.738 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.58 105.56 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -135.83 177.28 7.95 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.83 -174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -68.45 -18.08 71.28 Favored Glycine 0 C--O 1.217 -0.938 0 C-N-CA 121.729 -0.272 . . . . 0.0 112.638 -177.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 28.0 mmm180 -59.89 -41.21 91.13 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -69.57 -37.12 76.86 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.028 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD13 ' HG2' ' A' ' 21' ' ' MET . 28.3 tp -59.61 -44.93 93.26 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.525 176.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 91.2 mtp -65.62 -36.74 84.58 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.154 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 60.8 mm-40 -65.87 -38.96 90.18 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 122.899 0.48 . . . . 0.0 110.486 174.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.02 -47.23 81.08 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.308 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.6 mt -55.88 -41.64 67.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.8 ttmt -55.9 -50.53 70.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.231 175.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.8 mmmt -64.01 -52.72 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.717 0.77 . . . . 0.0 111.069 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 18' ' ' ILE . 75.0 t . . . . . 0 C--N 1.294 -1.813 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.909 -175.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.4 tt . . . . . 0 N--CA 1.43 -1.461 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.39 113.42 2.91 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.475 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.62 -16.59 21.36 Favored Glycine 0 N--CA 1.427 -1.917 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.975 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.425 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.7 t0 -118.87 87.97 2.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.897 1.332 . . . . 0.0 109.764 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 17' ' ' ASP . 6.8 mp -78.79 -37.0 42.0 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 112.865 -1.971 . . . . 0.0 111.8 -172.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -87.32 -4.1 59.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.468 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 57.97 62.67 1.99 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.907 1.283 . . . . 0.0 111.383 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -115.4 -6.13 12.31 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.763 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.82 53.08 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.725 -0.671 . . . . 0.0 114.772 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 p -156.23 149.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.74 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -78.34 97.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 122.036 0.922 . . . . 0.0 109.913 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -126.04 176.32 7.1 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.031 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.46 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.3 -21.67 64.52 Favored Glycine 0 N--CA 1.472 1.076 0 N-CA-C 113.708 0.243 . . . . 0.0 113.708 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -63.15 -32.14 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.485 0.714 . . . . 0.0 110.704 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' HB3' HD13 ' A' ' 7' ' ' LEU . 55.2 m-20 -69.47 -38.95 77.94 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.942 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.46 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -53.12 -42.39 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.228 1.011 . . . . 0.0 110.442 175.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.619 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 24.3 t -60.48 -52.7 58.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.81 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 69.6 mmm -62.13 -38.8 90.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.77 0.828 . . . . 0.0 110.598 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.564 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -54.61 -56.54 17.96 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 125.4 1.48 . . . . 0.0 108.971 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -63.76 -33.92 76.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.284 -1.325 . . . . 0.0 112.841 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.5 mm-40 -59.61 -57.37 13.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.354 0.597 . . . . 0.0 110.285 177.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -66.37 -41.42 89.48 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.954 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.46 -33.32 67.83 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.781 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.81 -1.88 48.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.039 0.447 . . . . 0.0 111.234 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.01 18.69 57.46 Favored Glycine 0 N--CA 1.43 -1.739 0 CA-C-N 116.161 -0.472 . . . . 0.0 113.155 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -89.08 154.52 20.11 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.002 0.43 . . . . 0.0 110.669 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m -90.61 113.74 25.85 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.74 115.91 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 p -76.25 117.51 18.01 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.2 34.11 13.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.134 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt -103.7 146.29 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -89.78 97.84 11.42 Favored 'General case' 0 CA--C 1.482 -1.651 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -53.03 -28.6 25.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.051 0.94 . . . . 0.0 112.753 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -86.06 -18.75 31.58 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -173.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.24 -9.08 59.06 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 7' ' ' LEU . 7.8 mp -77.03 -25.75 52.94 Favored 'General case' 0 C--O 1.199 -1.579 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.721 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.27 76.09 9.22 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 122.995 1.378 . . . . 0.0 109.67 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -75.0 -34.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.202 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -82.74 -8.87 59.56 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.96 58.42 6.8 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 114.924 0.73 . . . . 0.0 114.924 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -115.19 -18.22 11.19 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 117.128 0.464 . . . . 0.0 111.255 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.9 -1.14 51.79 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 121.303 -0.475 . . . . 0.0 113.486 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.26 152.2 51.93 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 122.486 -0.42 . . . . 0.0 110.18 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.68 105.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -135.47 175.98 9.09 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.05 -20.89 69.35 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-N 116.55 -0.295 . . . . 0.0 112.444 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -60.55 -40.12 90.4 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.05 0.54 . . . . 0.0 109.808 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -69.42 -39.69 77.71 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.884 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD13 ' HG2' ' A' ' 21' ' ' MET . 37.2 tp -58.39 -44.79 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.593 175.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.13 -40.58 94.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.524 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 68.0 mm-40 -64.73 -40.9 96.1 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 176.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.24 -47.03 84.19 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 122.804 0.442 . . . . 0.0 110.824 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.19 -40.81 82.01 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -58.18 -43.08 87.33 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.358 1.063 . . . . 0.0 111.523 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.8 mmmt -68.1 -49.56 60.45 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.845 0.458 . . . . 0.0 110.893 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG21 ' CD1' ' A' ' 18' ' ' ILE . 69.9 t . . . . . 0 C--N 1.311 -1.086 0 C-N-CA 123.787 0.835 . . . . 0.0 112.302 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.6 tt . . . . . 0 N--CA 1.416 -2.126 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.43 118.47 5.2 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.978 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.85 -20.85 23.89 Favored Glycine 0 N--CA 1.424 -2.122 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.288 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 3' ' ' ILE . 4.0 t70 -111.81 93.04 4.26 Favored 'General case' 0 N--CA 1.414 -2.263 0 CA-C-O 122.211 1.005 . . . . 0.0 109.569 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.404 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 7.1 mp -79.25 -35.77 40.94 Favored 'General case' 0 C--N 1.279 -2.47 0 CA-C-N 113.804 -1.544 . . . . 0.0 112.537 -173.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -90.46 -3.29 57.75 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.501 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 t0 58.49 64.42 1.47 Allowed 'General case' 0 C--O 1.242 0.664 0 CA-C-O 122.562 1.172 . . . . 0.0 112.344 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.0 p30 -118.87 -6.3 10.55 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.877 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.24 10.8 70.58 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 115.083 0.793 . . . . 0.0 115.083 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.35 124.8 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.57 0 CA-C-O 121.247 0.546 . . . . 0.0 110.793 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 57' ' ' LYS . 22.3 m -70.87 97.86 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 CA-C-O 121.654 0.74 . . . . 0.0 110.133 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.71 -171.09 2.33 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.54 -24.24 70.87 Favored Glycine 0 C--N 1.313 -0.75 0 CA-C-N 115.656 -0.702 . . . . 0.0 114.447 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.0 mmt180 -65.78 -29.67 70.2 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 117.326 0.563 . . . . 0.0 110.083 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.17 -41.99 76.46 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.43 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.8 -42.35 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.703 1.201 . . . . 0.0 110.566 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.627 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.6 t -62.93 -53.02 52.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.909 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 75.6 mmm -60.16 -38.25 82.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.833 0.853 . . . . 0.0 110.749 -177.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.54 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.9 tpt -55.62 -56.56 18.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 124.967 1.307 . . . . 0.0 108.859 177.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.63 -29.38 70.39 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.582 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.5 mm-40 -62.78 -57.75 9.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.025 0.44 . . . . 0.0 109.839 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.84 -42.86 94.58 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.642 -176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.112 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.56 -11.98 60.61 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 120.844 0.354 . . . . 0.0 111.481 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 22.56 18.56 Favored Glycine 0 N--CA 1.424 -2.164 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -96.77 151.17 19.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.6 m -91.17 113.03 25.19 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.92 114.43 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -174.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -76.42 120.25 21.4 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.588 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.27 17.31 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.5 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -102.35 144.45 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.94 96.39 10.66 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.4 ttmt -55.79 -31.5 62.67 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -170.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -78.64 -15.86 58.01 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.96 -5.07 58.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.963 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.1 mp -80.75 -27.14 36.91 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.333 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.44 77.34 9.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.805 1.288 . . . . 0.0 109.658 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -74.35 -36.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.084 -173.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -81.15 -11.55 59.43 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.539 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.78 58.33 5.85 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.268 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -114.57 -14.39 12.09 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.142 -0.622 . . . . 0.0 110.736 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.12 -11.22 55.43 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.407 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 154.68 41.92 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 117.29 0.545 . . . . 0.0 110.405 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -95.0 105.27 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -135.71 178.44 7.04 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.26 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.91 68.8 Favored Glycine 0 C--O 1.224 -0.519 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.725 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -65.66 -39.95 91.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.74 -40.57 84.16 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.427 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.54 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.1 tp -57.39 -46.95 82.89 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.072 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.2 mtt -66.94 -31.54 72.19 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.191 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.0 mm-40 -68.22 -41.04 81.87 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.73 -45.76 91.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.337 0.655 . . . . 0.0 111.156 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.4 mt -59.85 -43.21 91.44 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.48 -47.67 72.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.057 0.943 . . . . 0.0 111.49 173.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.2 mmmt -60.22 -54.23 48.27 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.462 0.705 . . . . 0.0 110.643 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.412 HG21 ' CD1' ' A' ' 18' ' ' ILE . 47.2 t . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.694 -174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.1 tt . . . . . 0 N--CA 1.41 -2.433 0 CA-C-O 122.345 1.069 . . . . 0.0 108.483 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.0 mt -67.25 109.58 3.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.287 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.6 -14.88 9.19 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.698 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.487 ' HB3' HG23 ' A' ' 3' ' ' ILE . 16.0 t0 -119.0 85.07 2.3 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 123.099 1.428 . . . . 0.0 110.367 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.94 -33.66 45.16 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.359 -2.2 . . . . 0.0 111.98 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -89.53 -2.24 58.29 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.662 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.14 63.39 1.91 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.537 1.135 . . . . 0.0 111.748 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -120.9 1.41 10.44 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.681 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.03 61.96 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.89 147.34 13.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 117.363 0.581 . . . . 0.0 111.659 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.52 100.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 CA-C-O 121.994 0.902 . . . . 0.0 109.095 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -126.11 174.68 8.3 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.921 -177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.65 -19.42 62.72 Favored Glycine 0 N--CA 1.464 0.56 0 CA-C-N 116.494 -0.321 . . . . 0.0 113.843 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.3 mmt180 -66.43 -32.06 73.21 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -67.59 -38.75 84.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.744 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -53.47 -44.38 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.182 0.993 . . . . 0.0 110.234 174.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.649 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 26.5 t -58.52 -54.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.67 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.5 mmm -57.99 -41.31 82.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.236 1.015 . . . . 0.0 110.684 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.538 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.79 -57.36 11.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.479 1.512 . . . . 0.0 108.994 177.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -64.59 -30.81 71.84 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.75 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -62.81 -56.78 14.41 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 123.262 0.351 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -63.99 -43.49 95.54 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.566 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.54 -33.55 71.55 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.061 0.851 . . . . 0.0 112.243 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.48 59.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.808 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.5 14.33 8.97 Favored Glycine 0 N--CA 1.413 -2.836 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.531 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -89.12 151.94 21.92 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 117.401 0.601 . . . . 0.0 109.965 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.6 m -98.04 106.42 18.71 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 175.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.31 110.37 21.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.904 -171.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 t -76.13 119.57 20.23 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 19.71 25.15 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.061 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.46 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.8 tt -103.28 148.47 8.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.05 102.24 15.0 Favored 'General case' 0 CA--C 1.475 -1.928 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.3 ttpt -63.71 -22.69 67.03 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 123.7 0.625 . . . . 0.0 111.9 -172.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -75.02 -26.24 59.34 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.114 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.26 -4.27 55.03 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.574 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.2 mp -79.72 -27.3 40.65 Favored 'General case' 0 C--O 1.197 -1.681 0 O-C-N 123.775 0.672 . . . . 0.0 111.646 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -88.09 78.5 8.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.464 1.126 . . . . 0.0 109.194 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.521 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 54.2 mt -73.91 -37.68 48.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.472 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -82.95 -5.5 59.08 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.708 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.77 56.15 14.15 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.437 -0.801 . . . . 0.0 114.69 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -111.87 -8.33 14.12 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 117.359 0.579 . . . . 0.0 110.859 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.56 -6.9 59.32 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 115.916 -0.584 . . . . 0.0 113.013 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.59 151.42 51.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 0.0 111.522 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.41 106.62 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.885 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -136.67 178.26 7.21 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.218 -176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.93 -18.17 68.4 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 121.613 -0.327 . . . . 0.0 113.46 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.92 -41.44 91.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.234 0.54 . . . . 0.0 109.66 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.74 -39.86 80.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.731 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD13 ' HG2' ' A' ' 21' ' ' MET . 34.6 tp -59.04 -44.69 91.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.744 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 71.4 mtp -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.672 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 52.1 mm-40 -68.07 -39.15 83.0 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.218 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.14 -46.32 87.76 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.235 0.614 . . . . 0.0 110.932 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.9 mt -56.55 -48.88 79.67 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.507 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 64.6 tttt -51.98 -46.28 64.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.543 1.137 . . . . 0.0 112.196 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -61.51 -55.44 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.19 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.408 HG21 ' CD1' ' A' ' 18' ' ' ILE . 70.3 t . . . . . 0 C--N 1.311 -1.078 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.769 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.498 HG23 ' HB3' ' A' ' 6' ' ' ASP . 2.9 tt . . . . . 0 N--CA 1.419 -2.005 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 41.8 mt -61.85 111.38 1.86 Allowed 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -175.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.98 -20.53 10.67 Favored Glycine 0 N--CA 1.426 -2.002 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.027 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.498 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.2 t0 -116.73 88.77 2.97 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-O 122.971 1.367 . . . . 0.0 109.615 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.76 -38.8 37.74 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.891 -1.958 . . . . 0.0 111.866 -172.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -86.88 -3.17 59.04 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.793 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 60.29 62.48 1.58 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 122.73 1.253 . . . . 0.0 111.556 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -119.5 3.54 11.23 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.769 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.48 5.24 75.66 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.091 -0.958 . . . . 0.0 114.601 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -151.28 139.65 14.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 116.962 0.381 . . . . 0.0 111.472 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG21 ' HB3' ' A' ' 57' ' ' LYS . 30.4 m -74.13 98.13 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-O 121.862 0.839 . . . . 0.0 109.055 172.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -126.33 177.7 6.28 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.144 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -62.04 -24.25 64.76 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.861 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.1 mmt180 -65.04 -31.72 73.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 122.666 -0.314 . . . . 0.0 110.507 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.83 -39.59 90.97 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.978 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.503 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.67 -45.12 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.548 175.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.668 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -60.51 -54.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.597 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 70.7 mmm -57.55 -42.4 82.93 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.29 1.036 . . . . 0.0 110.601 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.501 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -55.24 -57.17 12.89 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 109.199 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -30.25 71.35 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.049 -1.432 . . . . 0.0 112.569 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 30.3 mm-40 -62.8 -57.24 11.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.634 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -65.16 -41.79 94.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.51 -33.87 68.5 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.441 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.01 -0.03 26.27 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.979 0.511 . . . . 0.0 111.858 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.53 61.78 Favored Glycine 0 N--CA 1.419 -2.485 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.854 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 28' ' ' LYS . 48.9 mtpt -88.54 157.36 18.64 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 117.41 0.605 . . . . 0.0 109.58 177.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.3 m -97.84 113.64 25.49 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.2 108.97 19.21 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.388 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -76.04 116.79 17.09 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.11 32.13 8.06 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.745 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.6 tt -110.84 152.57 12.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.15 97.8 11.36 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 170.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.0 ttpt -60.02 -18.87 49.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.896 0.878 . . . . 0.0 112.687 -172.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.54 -21.75 25.24 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 122.95 0.5 . . . . 0.0 109.808 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.52 -4.23 53.15 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.043 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.2 mp -78.88 -25.48 43.9 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.85 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.13 76.99 9.18 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-O 122.637 1.208 . . . . 0.0 108.668 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.8 mt -74.17 -34.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 112.838 -1.983 . . . . 0.0 111.946 -173.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.882 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.51 58.41 5.45 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.923 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -114.66 -13.44 12.1 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 117.236 0.518 . . . . 0.0 111.046 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.98 -9.25 54.91 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.527 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.09 153.58 47.51 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 117.237 0.519 . . . . 0.0 110.573 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 38' ' ' LEU . 58.9 t -92.32 104.97 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.36 178.86 6.74 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.713 -174.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.22 -16.79 69.42 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.626 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -62.38 -42.8 99.69 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -68.06 -40.96 82.64 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.57 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.501 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.5 tp -57.65 -43.83 85.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.908 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 40.3 mtt -69.9 -29.86 67.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.143 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.3 mm-40 -70.19 -38.29 75.3 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.81 -45.01 91.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 51' ' ' LEU . 77.0 mt -57.57 -45.87 86.2 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.4 tttt -54.14 -49.49 69.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.387 1.075 . . . . 0.0 111.412 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.4 mmmt -63.43 -56.48 15.86 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.734 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 18' ' ' ILE . 71.7 t . . . . . 0 C--N 1.297 -1.716 0 C-N-CA 123.966 0.907 . . . . 0.0 113.255 -175.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.517 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.3 tt . . . . . 0 N--CA 1.416 -2.168 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.7 mt -60.32 115.37 3.48 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.366 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.12 -15.34 20.88 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.2 t0 -118.53 84.76 2.24 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-O 122.612 1.196 . . . . 0.0 109.354 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.17 -37.17 46.42 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.618 -173.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -85.64 -3.83 58.99 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 59.55 63.11 1.59 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 124.572 1.17 . . . . 0.0 111.92 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -122.3 4.55 9.72 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.65 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.38 10.96 72.97 Favored Glycine 0 CA--C 1.499 -0.93 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -154.45 142.69 13.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 117.114 0.457 . . . . 0.0 110.345 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -78.7 96.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.175 0 CA-C-O 122.028 0.918 . . . . 0.0 108.94 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -125.07 174.66 7.88 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.996 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -60.79 -24.41 62.37 Favored Glycine 0 N--CA 1.47 0.9 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.24 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.2 mmt180 -64.32 -31.29 72.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.837 0.351 . . . . 0.0 110.34 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.08 -37.7 81.52 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.273 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.539 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.33 -45.06 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.117 0.967 . . . . 0.0 110.164 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.623 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.7 t -59.26 -52.71 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.657 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.7 mmm -60.02 -41.8 92.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.157 0.983 . . . . 0.0 110.462 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.2 tpt -54.37 -57.44 11.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.309 1.443 . . . . 0.0 108.679 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.47 -35.39 75.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.648 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 7.6 mm-40 -60.37 -55.34 34.75 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 120.875 0.369 . . . . 0.0 110.627 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -66.16 -41.74 89.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.932 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 21' ' ' MET . 85.0 mt -55.79 -40.22 72.38 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.0 0.813 . . . . 0.0 111.234 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.14 60.91 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.5 10.14 Favored Glycine 0 N--CA 1.422 -2.277 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.392 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -88.1 148.88 24.25 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -85.36 107.61 17.44 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.91 111.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.02 117.52 17.82 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.34 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.79 28.09 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.292 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 38' ' ' LEU . 18.3 tt -97.17 150.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -85.54 99.92 11.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 169.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.0 ttpt -69.67 -12.09 61.36 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 123.82 0.7 . . . . 0.0 112.077 -170.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -88.23 -24.95 23.11 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.76 35.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.145 -173.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.5 mp -78.55 -24.25 45.74 Favored 'General case' 0 CA--C 1.478 -1.827 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.297 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.02 74.64 5.55 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-O 122.832 1.301 . . . . 0.0 110.132 -175.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 33.6 mt -74.31 -28.5 22.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 112.813 -1.994 . . . . 0.0 112.185 -172.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -85.96 -9.87 56.13 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.196 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.48 51.57 47.2 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.645 -0.707 . . . . 0.0 114.8 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 p30 -114.81 -19.33 11.06 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 117.742 0.771 . . . . 0.0 110.86 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.87 -10.59 55.79 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 121.359 -0.448 . . . . 0.0 113.724 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.15 130.89 53.93 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 117.537 0.668 . . . . 0.0 109.748 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.21 107.92 14.67 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.596 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -135.55 177.36 7.88 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.724 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.75 -15.16 57.36 Favored Glycine 0 C--O 1.22 -0.751 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.025 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.5 mtm180 -67.85 -34.08 76.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -72.91 -38.49 66.86 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.541 HD13 ' HG2' ' A' ' 21' ' ' MET . 43.5 tp -58.86 -43.79 90.88 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.028 175.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 67.7 mtt -62.33 -37.51 85.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 177.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.612 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.78 -39.21 84.1 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.58 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.47 -47.69 78.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.616 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.9 mt -58.39 -44.25 88.2 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -52.8 -46.81 67.83 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.424 1.089 . . . . 0.0 111.66 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -64.49 -54.6 29.9 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.747 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 18' ' ' ILE . 59.5 t . . . . . 0 C--N 1.308 -1.203 0 C-N-CA 123.657 0.783 . . . . 0.0 112.04 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.491 HG23 ' HB3' ' A' ' 6' ' ' ASP . 6.0 tt . . . . . 0 N--CA 1.421 -1.877 0 CA-C-O 121.084 0.468 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.5 mt -60.0 118.51 6.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.767 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.45 -15.76 29.66 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.394 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.6 t0 -117.18 86.07 2.44 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-O 122.938 1.352 . . . . 0.0 109.438 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.417 HD13 ' HB3' ' A' ' 17' ' ' ASP . 6.9 mp -78.77 -36.35 43.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 112.812 -1.994 . . . . 0.0 111.72 -173.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -85.92 -4.94 59.29 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 59.37 62.37 1.81 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.708 1.242 . . . . 0.0 111.416 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -118.17 3.89 12.0 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.758 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.04 8.94 74.7 Favored Glycine 0 N--CA 1.438 -1.19 0 CA-C-N 115.026 -0.988 . . . . 0.0 114.144 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -153.5 139.73 11.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 CA-C-N 117.148 0.474 . . . . 0.0 111.269 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.43 97.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 121.463 0.649 . . . . 0.0 109.412 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -126.19 177.3 6.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.776 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.3 -25.6 62.81 Favored Glycine 0 N--CA 1.469 0.85 0 CA-C-N 116.11 -0.495 . . . . 0.0 114.146 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' MET . 29.7 mmt180 -63.15 -31.45 72.59 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.573 -0.369 . . . . 0.0 110.786 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' HB3' HD13 ' A' ' 7' ' ' LEU . 51.9 m-20 -65.98 -39.51 90.42 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.31 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.507 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -52.38 -45.22 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.391 1.076 . . . . 0.0 110.23 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 38.9 t -59.3 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -64.64 -39.28 93.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.058 0.943 . . . . 0.0 110.479 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.566 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -56.71 -55.37 34.97 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 124.995 1.318 . . . . 0.0 108.567 176.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -63.35 -32.38 73.79 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.292 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 15.2 mm-40 -60.9 -58.12 9.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.02 -42.41 97.13 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.002 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -57.56 -33.67 68.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 123.829 0.706 . . . . 0.0 112.239 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.31 -7.34 57.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.304 0.573 . . . . 0.0 110.923 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.82 24.14 31.02 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.102 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -96.06 152.12 18.83 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -91.07 122.42 33.7 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.33 115.73 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 t -75.6 119.86 20.23 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.45 23.02 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.2 -0.524 . . . . 0.0 113.002 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' HD11 ' A' ' 38' ' ' LEU . 18.1 tt -102.68 148.87 7.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.15 101.55 14.27 Favored 'General case' 0 CA--C 1.483 -1.615 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -24.78 66.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.869 0.843 . . . . 0.0 112.521 -171.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -82.08 -22.98 36.04 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.61 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.28 -2.35 48.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.546 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 33' ' ' ILE . 9.5 mp -79.39 -29.72 42.17 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.536 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -87.88 76.52 8.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.681 1.229 . . . . 0.0 110.08 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 39.0 mt -74.43 -33.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.604 -171.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.46 -12.02 56.82 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.305 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.32 58.31 5.59 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 115.989 -0.55 . . . . 0.0 114.148 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -114.66 -14.83 12.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.034 0.417 . . . . 0.0 111.638 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.48 55.2 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.541 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.97 156.3 41.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.992 0.396 . . . . 0.0 110.092 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.41 HG11 HD23 ' A' ' 38' ' ' LEU . 46.9 t -98.76 106.75 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.362 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.0 179.37 6.39 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.245 -173.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 -21.57 71.1 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.117 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.0 mmm-85 -54.85 -45.48 74.55 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 123.264 0.626 . . . . 0.0 109.692 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -67.59 -37.58 82.79 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.957 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.566 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.8 tp -61.78 -44.63 96.49 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.663 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.3 mtt -65.64 -33.11 75.14 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.895 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.6 mm-40 -68.14 -43.86 77.38 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.561 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.9 -47.53 85.98 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 123.646 0.779 . . . . 0.0 110.867 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.0 mt -55.33 -41.7 63.14 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 35.4 ttpt -59.61 -50.76 72.62 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 122.844 0.458 . . . . 0.0 111.357 175.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.4 mmmt -59.76 -49.58 77.17 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.876 0.846 . . . . 0.0 110.832 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 18' ' ' ILE . 86.4 t . . . . . 0 C--N 1.296 -1.74 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.271 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.431 HG23 ' HB3' ' A' ' 6' ' ' ASP . 5.3 tt . . . . . 0 N--CA 1.425 -1.706 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.44 117.65 4.71 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.292 0.637 . . . . 0.0 111.19 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.64 -21.89 20.42 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.431 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.7 t0 -114.99 88.36 2.85 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 122.602 1.191 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.87 -37.25 40.73 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.32 -173.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.44 -7.12 58.69 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.028 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 61.6 63.32 1.18 Allowed 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.479 1.133 . . . . 0.0 111.879 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -121.56 0.95 10.02 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.93 6.51 67.06 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 115.225 0.85 . . . . 0.0 115.225 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.0 142.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 117.339 0.57 . . . . 0.0 110.994 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.93 96.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.967 0.889 . . . . 0.0 110.006 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -125.67 179.21 5.26 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.992 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.494 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.93 -19.7 67.94 Favored Glycine 0 N--CA 1.471 0.996 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.292 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -69.67 -29.8 67.32 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -68.44 -39.66 81.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.494 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -50.77 -43.03 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 124.352 1.033 . . . . 0.0 110.64 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.642 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -61.64 -54.65 31.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.788 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.1 mmm -57.09 -42.2 80.26 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.384 1.074 . . . . 0.0 110.36 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.521 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -54.67 -57.35 11.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 125.582 1.553 . . . . 0.0 109.159 177.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -63.65 -33.38 75.49 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.298 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.1 mm-40 -60.51 -55.36 34.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.049 0.452 . . . . 0.0 110.72 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.71 -43.1 90.15 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.315 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.99 -35.94 71.93 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.776 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -22.74 60.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.16 0.505 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.93 25.39 6.82 Favored Glycine 0 N--CA 1.415 -2.727 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.758 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -93.01 158.64 15.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.267 0.534 . . . . 0.0 110.111 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -94.89 109.72 21.68 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.78 119.41 41.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -76.03 126.79 31.65 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.86 31.32 49.31 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.094 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.6 tt -102.35 146.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.88 99.73 12.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 169.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.511 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.1 ttmt -63.71 -16.45 61.12 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.212 1.005 . . . . 0.0 112.521 -171.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -89.68 -24.07 21.69 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -8.19 57.29 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.505 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 35' ' ' LYS . 7.6 mp -75.96 -28.21 57.82 Favored 'General case' 0 C--O 1.196 -1.721 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -86.19 77.45 9.56 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.877 1.322 . . . . 0.0 109.522 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mt -74.54 -37.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.63 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.455 ' HB3' ' HG3' ' A' ' 53' ' ' GLU . 21.9 p-10 -80.51 -7.93 59.38 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.585 -178.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.82 58.39 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.684 -0.689 . . . . 0.0 114.281 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -114.81 -13.91 11.99 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.398 0.599 . . . . 0.0 111.353 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.32 57.49 Favored Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.341 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.43 148.8 52.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.035 0.418 . . . . 0.0 110.655 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.73 105.01 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.004 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -135.84 176.87 8.29 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.261 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.84 -15.47 66.92 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 116.625 -0.262 . . . . 0.0 112.955 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 25.3 mmm180 -62.84 -43.7 98.09 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -68.51 -36.72 79.28 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.909 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 21' ' ' MET . 29.7 tp -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.395 176.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.09 -32.57 73.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.549 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 63.7 mm-40 -67.9 -39.27 83.63 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.441 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.62 -44.05 91.78 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -59.28 -40.27 80.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.0 ttmt -56.96 -55.25 37.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.489 0.716 . . . . 0.0 110.107 173.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.2 mmmt -55.88 -53.31 58.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.213 1.005 . . . . 0.0 112.481 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' A' ' 18' ' ' ILE . 58.3 t . . . . . 0 C--N 1.304 -1.397 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.032 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.422 HG23 ' HB3' ' A' ' 6' ' ' ASP . 10.7 tt . . . . . 0 N--CA 1.422 -1.83 0 CA-C-O 122.187 0.994 . . . . 0.0 109.81 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 52.0 mt -68.42 111.26 4.56 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.495 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.47 -18.29 9.43 Favored Glycine 0 N--CA 1.429 -1.805 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.422 ' HB3' HG23 ' A' ' 3' ' ' ILE . 20.6 t70 -114.52 89.22 3.04 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 122.704 1.24 . . . . 0.0 110.442 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.57 -34.91 46.63 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.12 -1.854 . . . . 0.0 112.665 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -90.49 -2.2 57.91 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.6 t70 59.98 63.4 1.46 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.552 1.168 . . . . 0.0 111.653 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -118.69 -1.9 11.04 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.854 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.8 -2.25 69.45 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.569 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -146.65 138.27 18.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 117.516 0.658 . . . . 0.0 112.315 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.18 96.96 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-O 122.267 1.032 . . . . 0.0 110.182 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -125.46 -177.11 3.78 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.146 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -68.28 -20.34 73.18 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.818 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.8 mmt180 -67.16 -31.12 71.33 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 122.796 0.438 . . . . 0.0 110.288 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.8 -40.26 79.67 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.182 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.454 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -51.95 -45.42 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.105 0.962 . . . . 0.0 110.225 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.68 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 37.4 t -56.8 -54.44 29.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.731 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 78.0 mmm -61.46 -39.8 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.979 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.49 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.6 tpt -54.17 -57.96 9.16 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 125.137 1.375 . . . . 0.0 109.471 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -64.11 -31.85 73.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.368 -1.742 . . . . 0.0 112.17 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.4 mm-40 -61.24 -59.0 5.98 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.542 0.526 . . . . 0.0 109.872 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.54 -44.53 93.95 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.962 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.0 mt -57.2 -35.49 69.7 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 124.122 0.889 . . . . 0.0 112.141 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -9.21 58.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.921 0.391 . . . . 0.0 111.615 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.2 23.03 20.94 Favored Glycine 0 N--CA 1.416 -2.682 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.593 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -99.12 147.09 25.44 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.5 m -99.58 111.33 23.69 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.96 111.42 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.762 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 -171.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -73.77 117.28 15.36 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.49 6.94 46.6 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.774 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.1 tt -88.61 147.23 5.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.13 98.06 11.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HA ' HD13 ' A' ' 38' ' ' LEU . 34.8 ttmt -60.14 -25.21 65.32 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.324 0.583 . . . . 0.0 112.149 -172.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -76.62 -24.16 53.37 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.982 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.34 -3.94 57.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.657 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.7 mp -80.72 -26.88 37.14 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.13 75.04 10.38 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.636 1.208 . . . . 0.0 109.607 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.483 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.1 mt -74.62 -35.78 38.87 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.167 -174.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -80.49 -10.03 59.75 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.239 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.93 58.68 8.57 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.086 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -115.18 -15.17 11.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.118 0.459 . . . . 0.0 112.074 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.16 0.68 54.43 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.405 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.47 153.21 51.81 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -94.46 104.07 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.177 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.38 173.95 11.15 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.077 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.84 -15.64 58.22 Favored Glycine 0 N--CA 1.474 1.196 0 CA-C-N 116.608 -0.269 . . . . 0.0 113.374 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -64.36 -37.05 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -73.41 -38.13 65.68 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.49 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.6 tp -57.4 -46.75 83.13 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.922 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 81.8 mtp -65.45 -33.82 76.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.35 -40.09 85.8 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.29 -45.45 87.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.811 0.339 . . . . 0.0 110.393 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -58.59 -42.12 83.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.007 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 31.9 ttmt -55.05 -56.13 23.21 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.061 0.545 . . . . 0.0 110.265 173.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.5 mmmt -55.0 -55.9 25.73 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.922 0.889 . . . . 0.0 111.994 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 18' ' ' ILE . 53.2 t . . . . . 0 C--N 1.297 -1.679 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.56 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.526 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.2 tt . . . . . 0 N--CA 1.415 -2.198 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.07 112.99 2.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.487 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.96 -17.43 17.46 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.526 ' HB3' HG23 ' A' ' 3' ' ' ILE . 15.7 t0 -118.68 88.8 3.0 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.014 1.388 . . . . 0.0 110.257 177.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.12 -35.73 41.73 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 112.718 -2.037 . . . . 0.0 112.467 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -90.31 -4.01 57.4 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.324 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 61.27 63.62 1.2 Allowed 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.576 1.179 . . . . 0.0 111.538 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -115.32 -8.98 12.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.553 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.38 -1.9 58.99 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-N 115.475 -0.784 . . . . 0.0 114.59 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 HD22 ' A' ' 14' ' ' ASN . 7.5 p -152.6 148.68 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.368 0 CA-C-N 118.161 0.98 . . . . 0.0 112.792 -174.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 57' ' ' LYS . 27.4 m -78.84 97.49 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.153 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.402 HD22 HG13 ' A' ' 12' ' ' VAL . 10.5 p30 -126.42 -167.54 1.73 Allowed 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.64 -0.663 . . . . 0.0 111.37 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -70.57 -21.8 77.76 Favored Glycine 0 C--O 1.223 -0.563 0 CA-C-N 115.879 -0.6 . . . . 0.0 114.207 -175.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 22.2 mmt180 -64.96 -36.09 83.27 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 121.099 0.476 . . . . 0.0 110.013 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.418 ' OD2' ' HA ' ' A' ' 6' ' ' ASP . 15.4 m-20 -63.45 -43.74 96.53 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.741 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -50.27 -44.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.246 0.966 . . . . 0.0 110.967 173.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 22.3 t -62.57 -54.46 33.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.894 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.057 0.943 . . . . 0.0 110.645 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.543 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.66 -56.27 20.88 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 125.316 1.446 . . . . 0.0 109.533 177.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -66.41 -31.24 71.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.481 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.4 mm-40 -59.43 -56.08 26.54 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.336 0.589 . . . . 0.0 109.974 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.57 -42.13 83.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -55.65 -39.85 71.44 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.906 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.37 63.32 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 122.885 0.474 . . . . 0.0 111.07 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.12 27.22 8.35 Favored Glycine 0 N--CA 1.42 -2.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.876 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -95.79 158.44 15.45 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -91.27 111.6 23.15 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.55 108.56 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -76.41 116.99 17.62 Favored 'General case' 0 C--N 1.282 -2.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.81 25.53 22.35 Favored Glycine 0 C--O 1.246 0.9 0 CA-C-N 116.033 -0.53 . . . . 0.0 113.427 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.9 tt -99.3 152.22 4.56 Favored 'Isoleucine or valine' 0 C--O 1.248 0.986 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -93.6 97.88 10.78 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 168.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HA ' HD13 ' A' ' 38' ' ' LEU . 38.2 ttmt -64.82 -15.13 61.36 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 123.639 0.776 . . . . 0.0 112.663 -170.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -85.13 -26.77 26.66 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.638 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.74 -2.72 37.64 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.846 0.459 . . . . 0.0 111.841 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 35' ' ' LYS . 7.8 mp -81.7 -23.09 37.01 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.808 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -87.06 72.53 10.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.733 1.254 . . . . 0.0 109.721 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.29 -35.08 38.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 113.439 -1.709 . . . . 0.0 111.774 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -81.11 -10.77 59.61 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.246 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.38 58.67 6.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 116.05 -0.523 . . . . 0.0 114.211 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -115.59 -12.59 11.58 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.489 0.645 . . . . 0.0 112.271 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.74 53.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.489 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.73 162.49 32.2 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.761 0.315 . . . . 0.0 110.456 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -102.06 111.74 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.263 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -135.05 178.58 6.92 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 122.457 0.303 . . . . 0.0 110.634 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.85 -15.42 66.86 Favored Glycine 0 CA--C 1.506 -0.511 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.038 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 52.9 mtm180 -69.18 -32.97 72.63 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -73.31 -37.38 66.19 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.835 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD13 ' HG2' ' A' ' 21' ' ' MET . 26.7 tp -58.66 -45.44 89.34 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.851 175.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 88.6 mtp -70.74 -25.21 62.82 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.658 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 39.4 mm-40 -72.2 -40.09 68.13 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 172.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.55 -45.86 88.61 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.394 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.9 mt -60.19 -40.62 84.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.831 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.271 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.3 tttt -54.96 -46.8 75.07 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.237 1.015 . . . . 0.0 110.908 173.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mmmt -64.59 -52.85 55.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.341 0.657 . . . . 0.0 111.435 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 18' ' ' ILE . 49.2 t . . . . . 0 C--N 1.31 -1.11 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.7 tt . . . . . 0 N--CA 1.422 -1.826 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.8 113.08 1.88 Allowed 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.54 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.04 -17.7 17.01 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.491 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.528 ' HB3' HG23 ' A' ' 3' ' ' ILE . 24.5 t70 -121.81 87.37 2.74 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 122.952 1.358 . . . . 0.0 109.799 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.58 -34.08 47.16 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 112.955 -1.93 . . . . 0.0 112.439 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.39 -4.0 57.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.45 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.401 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.8 t70 57.75 64.19 1.62 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 124.472 1.108 . . . . 0.0 112.2 178.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -122.68 8.56 9.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.413 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.85 10.19 81.5 Favored Glycine 0 CA--C 1.491 -1.414 0 CA-C-N 115.512 -0.767 . . . . 0.0 114.618 171.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -154.62 138.94 9.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.135 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.5 98.76 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.476 1.131 . . . . 0.0 109.599 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -125.45 177.11 6.37 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.766 -176.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -66.34 -19.15 68.24 Favored Glycine 0 C--O 1.225 -0.465 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.94 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.3 mmt180 -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -63.52 -42.18 98.47 Favored 'General case' 0 CA--C 1.491 -1.312 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.18 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.44 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -51.09 -43.28 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.175 0.99 . . . . 0.0 110.756 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.0 t -64.26 -52.14 59.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.296 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.8 mmm -57.53 -42.91 83.83 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 124.235 0.96 . . . . 0.0 110.176 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.531 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -53.79 -58.2 8.1 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 125.664 1.585 . . . . 0.0 108.911 177.056 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.93 -31.54 71.87 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.895 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 25.6 mm-40 -63.72 -54.11 40.54 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.956 0.408 . . . . 0.0 110.24 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -67.7 -40.86 84.31 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.534 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -58.82 -32.89 69.78 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.53 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.81 -10.87 59.93 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.17 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.53 20.25 32.6 Favored Glycine 0 N--CA 1.426 -1.975 0 CA-C-N 116.44 -0.345 . . . . 0.0 112.831 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -90.84 157.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -93.83 112.65 24.54 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -95.95 117.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -76.33 117.83 18.41 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.843 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.18 21.85 Favored Glycine 0 N--CA 1.436 -1.338 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.8 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 tt -101.61 143.76 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.31 95.19 10.19 Favored 'General case' 0 CA--C 1.482 -1.666 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 172.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' A' ' 38' ' ' LEU . 14.0 tmtt? -56.12 -23.75 36.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.948 0.899 . . . . 0.0 113.269 -174.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.79 -23.66 41.98 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.301 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.71 -2.26 55.85 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.8 mp -78.72 -27.75 44.94 Favored 'General case' 0 CA--C 1.495 -1.149 0 O-C-N 123.745 0.653 . . . . 0.0 111.922 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -87.1 77.82 9.03 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 122.806 1.288 . . . . 0.0 109.793 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.6 mt -73.64 -34.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.225 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -83.43 -6.31 59.42 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.105 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.51 58.25 13.12 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.647 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -110.49 -15.21 13.96 Favored 'General case' 0 C--N 1.309 -1.153 0 O-C-N 122.363 -0.492 . . . . 0.0 111.196 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.01 4.34 48.07 Favored Glycine 0 N--CA 1.44 -1.096 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.848 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.77 147.93 32.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.464 0.632 . . . . 0.0 111.126 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.45 104.34 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.678 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -136.63 177.53 7.78 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.025 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -20.33 66.69 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.153 -0.476 . . . . 0.0 113.127 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -59.12 -41.38 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -69.69 -39.32 77.02 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.994 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.531 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.3 tp -59.38 -45.49 91.3 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 124.173 0.921 . . . . 0.0 109.468 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.69 -33.54 75.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.628 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 25.7 mm-40 -67.86 -37.99 82.55 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.74 -43.92 87.51 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.583 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -59.16 -44.17 91.16 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.784 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.0 tttt -53.21 -43.53 67.29 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 124.8 1.24 . . . . 0.0 111.632 173.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -68.16 -49.23 62.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 18' ' ' ILE . 44.6 t . . . . . 0 C--N 1.312 -1.044 0 CA-C-O 122.156 0.979 . . . . 0.0 112.687 -174.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.516 HG23 ' HB3' ' A' ' 6' ' ' ASP . 6.3 tt . . . . . 0 N--CA 1.428 -1.534 0 CA-C-O 122.041 0.924 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 51.3 mt -64.73 112.72 3.35 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.718 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.0 -15.94 12.18 Favored Glycine 0 N--CA 1.426 -1.974 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.541 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 24.5 t70 -117.27 86.49 2.52 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 122.734 1.254 . . . . 0.0 109.671 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.44 -33.0 48.8 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.002 -1.908 . . . . 0.0 112.903 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -92.06 3.15 55.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.208 0.527 . . . . 0.0 110.499 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.541 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.411 5.1 p-10 47.34 57.57 5.7 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 126.811 2.044 . . . . 0.0 114.616 179.236 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -110.37 0.59 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.198 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.17 59.0 Favored Glycine 0 CA--C 1.502 -0.733 0 N-CA-C 115.192 0.837 . . . . 0.0 115.192 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.33 138.82 6.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 117.947 0.873 . . . . 0.0 111.414 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.1 98.41 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-O 122.673 1.225 . . . . 0.0 110.377 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -125.16 177.4 6.13 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 114.626 -1.17 . . . . 0.0 113.198 -175.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.464 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -64.03 -24.81 68.93 Favored Glycine 0 N--CA 1.467 0.752 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.529 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.593 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.0 mmt180 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.787 0.835 . . . . 0.0 110.353 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -66.81 -40.93 88.22 Favored 'General case' 0 CA--C 1.488 -1.441 0 C-N-CA 122.804 0.442 . . . . 0.0 110.142 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.464 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -50.2 -47.42 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 124.354 1.034 . . . . 0.0 110.144 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.682 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 14.2 t -59.15 -54.71 30.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.677 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.8 mmm -57.1 -41.86 79.68 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.262 0.976 . . . . 0.0 110.771 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.551 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.5 tpt -56.02 -56.87 15.5 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.227 1.411 . . . . 0.0 109.41 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 69.0 mtp180 -68.54 -23.22 64.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 113.973 -1.467 . . . . 0.0 112.012 -173.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.2 mm-40 -67.53 -57.27 6.79 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.33 -41.2 98.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 21' ' ' MET . 89.3 mt -56.99 -36.91 70.91 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.475 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 -14.25 58.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.435 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.21 19.69 22.8 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 116.268 -0.424 . . . . 0.0 113.17 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.39 151.74 19.57 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 122.353 -0.498 . . . . 0.0 109.716 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.5 m -82.55 126.36 32.19 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 174.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.02 114.49 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.084 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -75.77 122.02 23.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.153 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.2 34.38 14.73 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.397 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.447 HD11 HD11 ' A' ' 38' ' ' LEU . 15.0 tt -107.99 144.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-O 121.028 0.442 . . . . 0.0 110.355 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -92.5 96.86 10.47 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.2 ttmt -60.16 -19.6 54.65 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.938 0.773 . . . . 0.0 112.458 -173.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -84.69 -21.76 30.04 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.252 0.621 . . . . 0.0 110.314 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.65 0.7 51.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.74 0.305 . . . . 0.0 111.641 -174.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.1 mp -80.8 -26.06 37.42 Favored 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.739 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.53 78.03 9.28 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.675 1.226 . . . . 0.0 109.351 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.553 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 47.4 mt -74.11 -37.44 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.545 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.16 -11.71 59.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.186 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 58.87 5.56 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.523 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -112.95 -9.51 13.61 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.352 0.576 . . . . 0.0 110.762 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.3 -10.79 54.59 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.517 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.16 162.24 32.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.556 0.678 . . . . 0.0 111.671 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -97.97 105.94 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 49' ' ' ARG . 8.7 p30 -136.14 -178.31 5.09 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.629 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.78 -17.38 73.15 Favored Glycine 0 C--O 1.216 -0.98 0 CA-C-N 116.505 -0.316 . . . . 0.0 112.752 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 27.3 mmt180 -58.88 -41.83 88.03 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -69.18 -39.21 78.85 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.93 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.551 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.0 tp -61.09 -43.51 98.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.923 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.1 mtt -64.92 -37.81 88.89 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.774 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 60.8 mm-40 -66.41 -40.44 89.59 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 175.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.56 -45.57 93.6 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.835 0.454 . . . . 0.0 110.207 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -57.08 -44.72 83.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.499 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 34.2 ttmt -54.24 -50.92 66.06 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.513 0.725 . . . . 0.0 111.028 174.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.7 mmmt -63.36 -55.49 24.08 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.097 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 18' ' ' ILE . 61.7 t . . . . . 0 N--CA 1.432 -1.356 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.648 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.485 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.1 tt . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 48.3 mt -60.9 112.64 2.13 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.437 -176.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.68 -21.72 11.26 Favored Glycine 0 N--CA 1.42 -2.368 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.519 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 3' ' ' ILE . 20.7 t70 -113.66 89.44 3.09 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 122.88 1.324 . . . . 0.0 109.694 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.85 -36.54 42.19 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.857 -1.974 . . . . 0.0 112.263 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.98 -7.03 56.77 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.031 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.2 t70 65.09 64.27 0.64 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.307 1.051 . . . . 0.0 111.658 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -120.77 -1.15 10.02 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.31 1.03 69.7 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.734 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -150.46 143.71 17.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 117.894 0.847 . . . . 0.0 112.097 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 m -70.48 96.72 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-O 121.97 0.89 . . . . 0.0 109.774 171.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -125.67 177.97 5.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.262 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -62.39 -22.39 63.36 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.521 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.0 mmt180 -63.89 -34.47 78.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.038 0.535 . . . . 0.0 110.928 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.99 -38.57 82.83 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.129 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.503 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.46 -43.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 124.157 0.911 . . . . 0.0 110.487 174.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 17.8 t -61.36 -53.06 53.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.321 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 77.3 mmm -58.68 -42.16 87.88 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.833 0.853 . . . . 0.0 110.471 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.528 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -55.25 -57.93 9.79 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.64 -32.91 73.09 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.852 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.4 mm-40 -62.07 -58.55 7.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.242 0.544 . . . . 0.0 110.514 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.98 -43.62 92.02 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.879 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 21' ' ' MET . 90.8 mt -55.91 -33.94 65.12 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.601 0.76 . . . . 0.0 112.144 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.24 -14.32 59.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.06 10.92 29.12 Favored Glycine 0 N--CA 1.418 -2.555 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.1 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -88.99 149.69 23.15 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -92.12 111.47 23.04 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.56 121.94 40.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 t -75.87 127.96 34.11 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 34.59 25.42 Favored Glycine 0 N--CA 1.432 -1.577 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.618 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -108.58 143.57 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.63 98.04 11.54 Favored 'General case' 0 CA--C 1.485 -1.555 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.7 ttmm -54.62 -31.48 57.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.831 0.852 . . . . 0.0 112.336 -173.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -79.69 -17.93 52.48 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.208 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.61 59.05 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.521 0.2 . . . . 0.0 111.031 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.2 mp -77.09 -26.92 53.93 Favored 'General case' 0 CA--C 1.483 -1.606 0 O-C-N 123.994 0.808 . . . . 0.0 111.303 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.36 76.1 8.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.922 1.344 . . . . 0.0 109.029 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 46.7 mt -74.15 -33.9 36.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-N 112.625 -2.08 . . . . 0.0 111.97 -172.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -82.96 -10.52 58.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.106 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.06 58.5 7.35 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.939 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -114.84 -11.54 12.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.534 0.667 . . . . 0.0 111.522 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.49 -3.48 57.85 Favored Glycine 0 N--CA 1.438 -1.202 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.387 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.92 150.51 52.04 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 122.296 -0.532 . . . . 0.0 110.383 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -93.35 101.42 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.857 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -135.92 177.78 7.56 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.535 -172.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.91 -17.2 67.24 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.628 -0.26 . . . . 0.0 113.067 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.83 -40.43 95.27 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -70.03 -38.67 75.94 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.854 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.3 tp -59.18 -45.69 90.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.641 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.52 -28.08 68.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.079 0.466 . . . . 0.0 111.521 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.651 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 27.0 mm-40 -71.72 -45.44 61.79 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.208 174.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.32 -47.25 84.32 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 124.121 0.888 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 51' ' ' LEU . 75.6 mt -56.78 -41.38 75.2 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.531 0 O-C-N 123.819 0.699 . . . . 0.0 109.349 176.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -59.71 -43.97 93.91 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.7 -49.58 61.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.443 0.697 . . . . 0.0 110.687 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 18' ' ' ILE . 61.9 t . . . . . 0 C--N 1.307 -1.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.061 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.0 tt . . . . . 0 N--CA 1.433 -1.319 0 CA-C-O 121.54 0.686 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 70.6 mt -62.57 114.12 3.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.84 -23.88 9.84 Favored Glycine 0 N--CA 1.427 -1.925 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.411 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -111.49 88.3 2.76 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 122.695 1.236 . . . . 0.0 109.917 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.61 -37.69 41.76 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 113.208 -1.814 . . . . 0.0 112.2 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -85.26 -6.61 59.25 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.625 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.9 t70 60.76 63.39 1.32 Allowed 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.676 1.19 . . . . 0.0 111.736 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -118.63 -2.3 11.0 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.751 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.75 1.9 63.32 Favored Glycine 0 CA--C 1.505 -0.562 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.161 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.0 137.66 19.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 117.074 0.437 . . . . 0.0 111.141 -173.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 57' ' ' LYS . 11.5 m -78.14 96.59 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 121.963 0.887 . . . . 0.0 109.026 175.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -125.86 176.51 6.91 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.58 -172.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.52 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -61.16 -23.11 61.53 Favored Glycine 0 N--CA 1.478 1.434 0 CA-C-N 116.006 -0.543 . . . . 0.0 113.458 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.8 mmt180 -65.49 -31.81 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.746 0.418 . . . . 0.0 110.472 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -67.67 -37.73 82.78 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.317 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.52 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -54.0 -43.9 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.801 0.84 . . . . 0.0 110.376 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.617 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 15.0 t -59.46 -49.66 82.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.907 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.2 mmm -63.48 -40.72 97.86 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.055 0.847 . . . . 0.0 110.131 -177.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.547 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.05 -56.19 20.36 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.545 1.538 . . . . 0.0 108.641 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.79 -30.47 70.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.159 -1.382 . . . . 0.0 113.386 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.5 mm-40 -65.76 -54.8 22.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.962 0.411 . . . . 0.0 110.903 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -65.51 -41.32 93.29 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.019 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.95 -30.06 63.71 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.281 0.988 . . . . 0.0 111.732 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.65 -4.53 59.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.454 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.58 57.2 Favored Glycine 0 N--CA 1.427 -1.901 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.219 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -88.38 151.24 22.72 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 m -92.12 107.74 19.43 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -85.99 113.18 23.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 t -76.36 117.46 18.05 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.36 26.81 17.06 Favored Glycine 0 C--O 1.246 0.875 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.754 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' CD1' HD11 ' A' ' 38' ' ' LEU . 15.4 tt -107.54 149.43 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.289 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.29 100.19 12.82 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HA ' HD13 ' A' ' 38' ' ' LEU . 22.3 ttpt -61.79 -26.5 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -170.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -85.24 -11.14 55.54 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.957 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.21 -4.83 58.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.73 0.3 . . . . 0.0 111.115 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.7 mp -82.01 -29.48 32.01 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.446 -177.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.27 76.34 9.18 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 122.752 1.263 . . . . 0.0 109.346 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.451 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 43.8 mt -74.03 -33.3 35.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.893 -171.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.48 -11.35 54.49 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.077 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.2 59.05 7.79 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.883 -0.599 . . . . 0.0 113.764 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 p30 -114.36 -11.83 12.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 117.442 0.621 . . . . 0.0 111.345 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.24 -3.68 51.29 Favored Glycine 0 N--CA 1.433 -1.541 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.429 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.55 151.92 49.92 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 122.252 -0.558 . . . . 0.0 110.276 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.4 t -93.26 106.4 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.097 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -136.17 178.94 6.67 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.874 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.35 -18.74 67.81 Favored Glycine 0 C--O 1.221 -0.717 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.538 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -60.74 -37.44 81.79 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.77 -38.06 67.43 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.323 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD13 ' HG2' ' A' ' 21' ' ' MET . 43.1 tp -59.83 -43.36 94.62 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 123.973 0.795 . . . . 0.0 109.511 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.3 mtt -62.51 -40.58 97.2 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.734 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 44.4 mm-40 -65.34 -40.38 93.59 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.258 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.74 -46.62 88.85 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -55.6 -45.57 78.88 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.041 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.1 ttmt -53.78 -49.84 67.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.073 0.949 . . . . 0.0 111.254 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.1 mmmt -63.31 -55.53 23.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.696 0.799 . . . . 0.0 111.377 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 18' ' ' ILE . 89.6 t . . . . . 0 C--N 1.305 -1.333 0 C-N-CA 124.322 1.049 . . . . 0.0 112.28 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' A' ' 6' ' ' ASP . 2.0 tt . . . . . 0 N--CA 1.431 -1.389 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 51.8 mt -59.21 111.89 1.51 Allowed 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.137 -177.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.28 -22.7 8.84 Favored Glycine 0 N--CA 1.428 -1.893 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.475 ' HB3' HG23 ' A' ' 3' ' ' ILE . 22.8 t70 -114.9 87.77 2.72 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.032 1.396 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 17' ' ' ASP . 7.1 mp -78.95 -37.07 40.55 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.099 -173.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -87.13 -4.42 59.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.692 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.2 t70 63.71 63.15 0.87 Allowed 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.579 1.18 . . . . 0.0 111.578 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -122.59 -1.68 9.0 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.223 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.39 -1.59 73.0 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.384 -0.825 . . . . 0.0 115.042 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -146.82 144.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 117.678 0.739 . . . . 0.0 111.686 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -74.39 98.71 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-O 122.121 0.962 . . . . 0.0 110.584 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -125.99 174.38 8.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.773 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.77 -23.36 60.99 Favored Glycine 0 N--CA 1.471 0.998 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.52 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.4 mmt180 -63.86 -32.94 74.62 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.052 0.541 . . . . 0.0 110.264 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB3' HD13 ' A' ' 7' ' ' LEU . 59.9 m-20 -68.31 -39.39 82.02 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.507 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.7 mp -51.44 -43.87 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.301 1.001 . . . . 0.0 110.786 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 5.5 t -62.96 -50.74 78.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.381 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -58.89 -42.05 88.64 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.943 0.897 . . . . 0.0 110.362 -178.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.534 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -54.47 -57.48 11.16 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 125.545 1.538 . . . . 0.0 108.755 177.045 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -61.48 -36.13 79.61 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.866 -1.515 . . . . 0.0 112.627 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.1 mm-40 -58.98 -56.73 18.49 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.128 0.489 . . . . 0.0 110.305 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.84 -42.42 94.94 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.57 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.28 -39.4 72.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.629 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.41 -25.11 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.936 0.398 . . . . 0.0 111.007 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.28 15.19 8.49 Favored Glycine 0 N--CA 1.426 -1.972 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.781 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -89.63 151.92 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.12 0.486 . . . . 0.0 110.375 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -92.13 108.91 20.29 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -95.24 111.39 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.48 117.11 17.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.5 6.94 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.6 tt -111.46 149.61 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -93.91 101.94 14.03 Favored 'General case' 0 CA--C 1.475 -1.938 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 168.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.4 ttpt -64.35 -15.58 60.63 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 123.789 0.68 . . . . 0.0 112.74 -172.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -89.16 -23.57 22.41 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.47 -7.07 57.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.306 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.0 mp -76.34 -29.62 57.33 Favored 'General case' 0 C--O 1.19 -2.066 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.52 76.26 9.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.732 1.253 . . . . 0.0 109.682 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.404 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 56.4 mt -74.39 -35.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.038 -173.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -81.16 -11.76 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.226 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.52 59.09 5.92 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.55 -0.75 . . . . 0.0 114.11 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.24 -10.84 12.68 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.726 0.763 . . . . 0.0 111.343 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.39 -10.41 56.41 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.034 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.12 156.41 44.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.109 0.481 . . . . 0.0 111.062 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -94.37 105.47 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.206 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -136.04 176.9 8.27 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.907 -174.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.11 -15.55 67.61 Favored Glycine 0 C--O 1.222 -0.608 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.733 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -64.66 -41.46 96.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 38' ' ' LEU . 46.6 m-20 -68.72 -37.76 79.7 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.366 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.534 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.1 tp -58.99 -45.84 89.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.087 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.47 -36.02 82.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -66.64 -40.2 88.61 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 123.516 0.51 . . . . 0.0 110.789 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.12 -45.24 92.93 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 122.422 0.289 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 51' ' ' LEU . 90.3 mt -57.64 -44.57 85.69 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -55.06 -44.54 74.83 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.46 1.104 . . . . 0.0 111.679 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmmt -66.58 -55.63 14.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.257 0.551 . . . . 0.0 111.08 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 18' ' ' ILE . 58.8 t . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.651 -175.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 6' ' ' ASP . 5.7 tt . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 121.369 0.604 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.13 119.81 8.56 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.921 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.62 -17.77 25.38 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.514 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.7 t70 -116.41 85.48 2.31 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 122.989 1.376 . . . . 0.0 110.104 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.78 -36.18 43.31 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 112.749 -2.023 . . . . 0.0 112.252 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -85.93 -1.85 57.7 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.835 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 58.72 62.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.723 1.264 . . . . 0.0 111.109 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -122.9 2.6 9.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.484 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.58 3.97 68.37 Favored Glycine 0 CA--C 1.508 -0.379 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -152.08 143.84 15.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 117.64 0.72 . . . . 0.0 111.601 -176.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.61 101.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-O 122.414 1.102 . . . . 0.0 110.327 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -125.34 176.64 6.64 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.443 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.506 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -67.48 -22.07 72.93 Favored Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.887 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.5 mmt180 -62.38 -31.22 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 110.213 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.92 -40.26 75.67 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.506 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.5 mp -53.35 -43.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.191 0.996 . . . . 0.0 110.173 175.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.635 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -56.91 -53.63 40.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.549 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.2 mmm -59.32 -42.34 91.19 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.672 1.189 . . . . 0.0 110.426 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.555 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -53.24 -56.01 19.93 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 125.231 1.412 . . . . 0.0 109.365 177.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 81.8 mtp180 -67.45 -30.7 70.49 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.223 -1.353 . . . . 0.0 112.299 -174.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -61.52 -53.89 50.43 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.938 0.399 . . . . 0.0 110.056 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.86 -41.29 95.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.542 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 21' ' ' MET . 96.9 mt -57.13 -39.25 74.8 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.218 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.84 -22.75 60.74 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.141 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.14 22.89 7.98 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.501 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -95.51 156.32 16.37 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -87.44 115.61 24.98 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -91.07 117.83 35.1 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -75.29 120.35 20.65 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.761 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.05 46.19 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.737 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.501 ' CD1' HD11 ' A' ' 38' ' ' LEU . 15.3 tt -100.13 145.68 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.33 100.42 13.01 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 38' ' ' LEU . 34.1 ttmt -62.17 -16.76 55.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.33 0.652 . . . . 0.0 112.43 -172.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -84.76 -25.65 28.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.12 -5.44 57.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.116 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.3 mp -75.44 -31.17 60.23 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 124.03 0.831 . . . . 0.0 110.889 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.07 76.29 10.26 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 122.593 1.187 . . . . 0.0 110.261 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt -74.39 -35.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 113.572 -1.649 . . . . 0.0 112.172 -174.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -79.19 -11.36 59.96 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.873 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.44 58.17 8.22 Favored Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.327 -0.851 . . . . 0.0 115.121 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.03 -17.97 11.34 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 117.887 0.843 . . . . 0.0 110.022 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.35 -11.54 54.66 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.833 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.36 34.64 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 117.377 0.588 . . . . 0.0 109.584 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 107.89 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.122 0 CA-C-O 121.894 0.854 . . . . 0.0 108.723 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -135.5 172.78 12.52 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.488 -172.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.57 -17.66 64.84 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.802 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -62.8 -39.23 93.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -68.88 -40.43 79.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.219 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.555 HD13 ' HG2' ' A' ' 21' ' ' MET . 37.1 tp -58.28 -45.69 87.42 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.908 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.9 -33.77 76.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.598 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 50.5 mm-40 -66.83 -40.28 87.92 Favored 'General case' 0 C--O 1.205 -1.238 0 O-C-N 123.245 0.341 . . . . 0.0 110.327 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.146 0.579 . . . . 0.0 110.911 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 51' ' ' LEU . 93.5 mt -59.19 -40.17 80.44 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.299 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.118 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.9 tttt -61.32 -42.58 98.91 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.005 1.322 . . . . 0.0 111.274 175.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.3 mmmt -62.86 -50.96 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 110.448 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.317 -0.834 0 CA-C-O 122.151 0.977 . . . . 0.0 110.789 -179.041 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.9 tt . . . . . 0 N--CA 1.437 -1.093 0 CA-C-O 121.109 0.481 . . . . 0.0 109.93 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.427 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.4 mt -63.09 112.53 2.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.183 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.6 -24.11 7.71 Favored Glycine 0 N--CA 1.417 -2.598 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.528 ' HB3' HG23 ' A' ' 3' ' ' ILE . 3.1 t70 -113.27 93.14 4.27 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-O 122.435 1.112 . . . . 0.0 109.91 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.423 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 7.9 mp -78.68 -31.7 46.78 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 113.68 -1.6 . . . . 0.0 112.795 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -92.75 -5.7 50.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.448 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 57.28 62.52 2.16 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 123.084 1.421 . . . . 0.0 111.637 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -111.23 -15.36 13.66 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.354 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.04 10.97 55.7 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 115.059 0.784 . . . . 0.0 115.059 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -156.54 124.83 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.509 0 CA-C-O 121.436 0.636 . . . . 0.0 110.893 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.24 97.32 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 CA-C-O 121.373 0.606 . . . . 0.0 111.71 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -126.16 -168.04 1.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.744 -0.598 . . . . 0.0 110.826 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.73 -24.53 72.76 Favored Glycine 0 C--O 1.224 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 114.289 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.629 ' O ' ' HG2' ' A' ' 20' ' ' MET . 39.0 mmt180 -63.41 -32.69 74.19 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-O 120.825 0.345 . . . . 0.0 111.046 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' OD1' ' HA ' ' A' ' 6' ' ' ASP . 14.9 m-20 -67.08 -43.12 83.38 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.248 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -52.13 -43.94 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.434 1.093 . . . . 0.0 110.707 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.0 t -60.73 -55.21 26.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.789 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.629 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 68.6 mmm -58.03 -40.42 80.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.946 0.898 . . . . 0.0 110.402 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.603 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.33 -56.84 14.48 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 109.089 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -67.47 -28.13 67.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.878 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 26.8 mm-40 -64.5 -52.54 57.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.27 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -65.63 -41.75 92.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.819 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 21' ' ' MET . 94.2 mt -60.57 -25.02 65.88 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.238 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.59 -9.06 53.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.145 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 24.46 35.22 Favored Glycine 0 N--CA 1.435 -1.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.285 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.03 153.54 18.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -84.68 115.29 22.59 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.99 117.68 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 t -75.84 126.5 31.12 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.112 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.17 34.08 64.66 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.89 -0.596 . . . . 0.0 113.244 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.404 HD11 HD11 ' A' ' 38' ' ' LEU . 15.9 tt -98.93 149.52 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.843 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -96.55 97.79 9.68 Favored 'General case' 0 N--CA 1.418 -2.049 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HA ' HD13 ' A' ' 38' ' ' LEU . 31.9 ttpt -58.39 -21.71 51.34 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 124.326 1.051 . . . . 0.0 112.226 -173.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.74 -21.01 28.45 Favored 'General case' 0 N--CA 1.437 -1.099 0 O-C-N 122.181 -0.324 . . . . 0.0 110.505 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.74 -3.91 58.2 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 120.875 0.369 . . . . 0.0 111.433 -174.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.0 mp -77.6 -31.72 53.17 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.834 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -83.93 77.84 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.788 1.28 . . . . 0.0 110.375 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 46.1 mt -74.66 -36.12 39.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 112.972 -1.922 . . . . 0.0 111.824 -174.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -81.43 -8.7 59.77 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.479 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.77 7.59 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.935 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -114.49 -13.29 12.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.566 0.683 . . . . 0.0 111.048 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.09 -10.74 57.03 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 116.031 -0.532 . . . . 0.0 113.001 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 155.92 39.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -98.28 105.22 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.952 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.13 178.84 6.74 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.122 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.97 69.53 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 116.65 -0.25 . . . . 0.0 112.841 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.64 -40.99 89.47 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.548 0.739 . . . . 0.0 109.07 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -71.18 -39.13 72.03 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.7 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.603 HD13 ' HG2' ' A' ' 21' ' ' MET . 41.1 tp -59.22 -42.98 92.26 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.806 0.692 . . . . 0.0 109.992 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.3 mtt -65.54 -36.47 83.91 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.313 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 22.6 mm-40 -69.14 -35.6 76.55 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.12 -46.66 76.77 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -57.44 -41.64 79.07 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.9 tttt -54.35 -52.7 60.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.318 1.047 . . . . 0.0 111.137 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.4 mmmt -60.95 -54.74 41.34 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.377 0.608 . . . . 0.0 111.308 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 18' ' ' ILE . 88.5 t . . . . . 0 C--N 1.309 -1.154 0 C-N-CA 124.114 0.965 . . . . 0.0 113.221 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.5 tt . . . . . 0 N--CA 1.426 -1.658 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.19 112.96 1.91 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.663 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.03 -21.55 12.11 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.721 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.8 t70 -115.76 89.69 3.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 122.725 1.25 . . . . 0.0 109.157 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.68 -37.06 42.67 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 113.064 -1.88 . . . . 0.0 112.015 -172.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -88.71 -3.34 58.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.586 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.7 t70 60.13 64.3 1.27 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 124.398 1.061 . . . . 0.0 111.534 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -120.26 -0.18 10.5 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 4.56 66.01 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 114.544 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 p -153.2 141.06 13.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 117.407 0.603 . . . . 0.0 111.816 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.33 99.98 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-O 121.642 0.734 . . . . 0.0 109.284 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -125.82 179.6 5.11 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.168 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.1 -22.97 69.36 Favored Glycine 0 CA--C 1.523 0.551 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.102 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.3 mmt180 -63.32 -32.08 73.4 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.146 0.578 . . . . 0.0 110.014 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -66.84 -39.87 87.78 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.607 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.55 -43.13 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.331 1.052 . . . . 0.0 110.293 175.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.669 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.4 t -59.63 -54.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.708 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.4 mmm -60.58 -40.65 92.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.121 0.968 . . . . 0.0 110.597 -176.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.593 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.8 -56.52 18.46 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 125.208 1.403 . . . . 0.0 108.997 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.64 -29.0 70.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.029 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 82.0 mm-40 -64.77 -57.36 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.03 -40.44 96.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.229 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.92 -29.22 68.22 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.822 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.32 -3.65 58.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.08 23.88 50.4 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.813 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -90.18 156.61 18.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.1 m -90.69 113.36 25.42 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 t -100.86 115.9 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.148 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -173.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -75.27 128.7 36.02 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.67 32.5 41.21 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.805 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 38' ' ' LEU . 15.3 tt -105.61 143.76 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.415 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -91.58 98.49 11.69 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 169.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.6 ttmt -61.94 -17.01 55.39 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 123.883 0.873 . . . . 0.0 112.385 -172.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.34 -25.7 22.61 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.89 -5.61 46.87 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.101 0.56 . . . . 0.0 111.717 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 33' ' ' ILE . 8.5 mp -78.85 -20.0 50.64 Favored 'General case' 0 CA--C 1.478 -1.814 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -92.0 74.38 5.57 Favored 'General case' 0 N--CA 1.417 -2.119 0 CA-C-O 122.725 1.25 . . . . 0.0 109.641 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mt -74.25 -34.3 36.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 CA-C-N 112.996 -1.911 . . . . 0.0 111.255 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -81.26 -8.91 59.83 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.65 54.99 32.49 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-N 115.532 -0.758 . . . . 0.0 113.849 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -114.72 -19.43 11.06 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.149 0.474 . . . . 0.0 111.613 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.77 5.37 47.9 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 120.637 -0.792 . . . . 0.0 114.05 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.81 132.72 21.31 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 117.388 0.594 . . . . 0.0 109.771 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.59 109.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -135.86 -179.48 5.68 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.991 -174.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.91 -14.84 61.63 Favored Glycine 0 C--O 1.225 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.637 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.1 mtm180 -71.15 -32.19 68.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.98 -37.99 64.29 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.593 HD13 ' HG2' ' A' ' 21' ' ' MET . 33.8 tp -58.33 -44.96 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.207 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.51 -39.04 86.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.021 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 38.2 mm-40 -64.25 -43.73 93.98 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.084 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.04 -47.08 88.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.038 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' LEU . 84.3 mt -56.63 -41.3 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 20.0 ttmm -58.98 -50.1 75.38 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.27 0.628 . . . . 0.0 111.372 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -61.18 -52.55 64.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.646 0.736 . . . . 0.0 110.261 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 18' ' ' ILE . 63.6 t . . . . . 0 C--N 1.3 -1.584 0 CA-C-N 114.811 -1.086 . . . . 0.0 113.436 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tt . . . . . 0 N--CA 1.433 -1.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.435 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.9 mt -64.94 124.06 21.05 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.457 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.66 -16.12 37.42 Favored Glycine 0 N--CA 1.431 -1.663 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.427 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 25.0 t70 -117.88 87.1 2.65 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 122.794 1.283 . . . . 0.0 110.321 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.82 -34.04 45.61 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 112.976 -1.92 . . . . 0.0 113.075 -172.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.59 9.83 40.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.729 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.297 4.0 p-10 47.52 60.6 3.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 126.327 1.851 . . . . 0.0 113.515 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -117.72 6.26 12.36 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.373 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.3 78.39 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 115.517 0.967 . . . . 0.0 115.517 170.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.31 150.28 10.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 117.561 0.68 . . . . 0.0 110.755 -175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.4 ' C ' HG22 ' A' ' 58' ' ' VAL . 17.0 m -78.98 99.35 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 122.118 0.961 . . . . 0.0 110.157 174.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -125.65 177.65 6.12 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.581 -177.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -62.58 -23.7 65.27 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-O 121.188 0.327 . . . . 0.0 113.223 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 20' ' ' MET . 26.7 mmt180 -63.12 -31.91 73.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 123.543 0.737 . . . . 0.0 111.537 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -68.39 -39.14 81.8 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.493 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -53.07 -43.74 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 110.267 175.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.651 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -59.66 -55.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.299 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -57.9 -41.65 83.07 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 124.177 0.923 . . . . 0.0 110.552 -177.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -55.15 -57.45 11.71 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.34 1.456 . . . . 0.0 109.267 178.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.47 -35.48 74.17 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.718 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 10.3 mm-40 -60.63 -58.43 8.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.827 0.704 . . . . 0.0 110.428 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.06 -41.14 95.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.011 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.03 -33.31 67.06 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.297 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.33 -14.55 55.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.61 15.97 25.63 Favored Glycine 0 N--CA 1.431 -1.645 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.958 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -88.6 149.79 23.38 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.132 0.491 . . . . 0.0 109.838 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 m -88.63 106.84 18.58 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.87 110.65 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -174.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 121.37 22.27 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 34.24 18.34 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.9 tt -106.74 146.83 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.02 96.51 10.4 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HA ' HD13 ' A' ' 38' ' ' LEU . 23.0 ttpp -61.6 -21.02 63.98 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.711 0.632 . . . . 0.0 112.452 -170.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -77.31 -29.45 53.64 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.123 0.569 . . . . 0.0 109.921 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.34 -4.51 48.43 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.1 mp -79.27 -25.95 42.42 Favored 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.59 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -87.22 77.08 9.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 122.879 1.323 . . . . 0.0 109.519 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.435 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.0 mt -73.93 -36.45 45.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 112.974 -1.921 . . . . 0.0 111.994 -172.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.64 -10.12 59.49 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.332 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.4 59.03 6.01 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.815 -0.63 . . . . 0.0 114.403 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -114.74 -12.71 12.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.467 0.634 . . . . 0.0 111.555 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 -9.71 55.11 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.416 -0.421 . . . . 0.0 113.424 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.5 152.15 50.97 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.027 0.441 . . . . 0.0 110.666 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.03 106.7 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.254 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -135.5 174.72 10.3 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.685 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.58 -15.89 64.69 Favored Glycine 0 C--O 1.221 -0.675 0 C-N-CA 121.618 -0.325 . . . . 0.0 113.33 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 49' ' ' ARG . 2.6 mmp_? -63.49 -39.8 95.4 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -67.67 -39.16 84.52 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.543 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.541 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.1 tp -59.76 -45.64 91.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.932 176.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.0 mtt -67.6 -27.76 67.18 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.554 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -69.02 -48.1 63.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.44 -47.64 81.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.041 0.936 . . . . 0.0 112.013 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 51' ' ' LEU . 57.2 mt -54.83 -45.39 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 32.4 ttpt -57.21 -50.54 72.54 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.47 0.481 . . . . 0.0 111.199 175.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -57.69 -55.78 30.38 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 123.899 0.749 . . . . 0.0 109.849 -177.441 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.414 HG21 ' CD1' ' A' ' 18' ' ' ILE . 92.4 t . . . . . 0 C--N 1.305 -1.349 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.258 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.435 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.7 tt . . . . . 0 N--CA 1.419 -2.021 0 CA-C-O 122.188 0.995 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 55.6 mt -66.32 110.67 3.15 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.575 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.13 -15.86 10.88 Favored Glycine 0 N--CA 1.425 -2.039 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 16.5 t70 -117.07 86.67 2.55 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 123.023 1.392 . . . . 0.0 109.958 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.426 HD21 ' HE3' ' A' ' 21' ' ' MET . 7.3 mp -78.54 -33.74 47.63 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 112.754 -2.021 . . . . 0.0 112.513 -172.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.37 8.27 41.13 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.473 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.358 6.5 p-10 45.59 62.07 2.35 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.625 1.97 . . . . 0.0 114.156 177.522 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -111.69 -4.81 14.58 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.075 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.25 3.79 58.68 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.523 -0.762 . . . . 0.0 114.304 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -151.17 144.88 16.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 117.536 0.668 . . . . 0.0 111.183 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -75.81 100.08 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -126.74 177.7 6.39 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.83 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.62 -23.17 66.75 Favored Glycine 0 N--CA 1.471 0.983 0 CA-C-N 116.393 -0.367 . . . . 0.0 113.698 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.8 mmt180 -65.18 -30.41 71.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.444 0.298 . . . . 0.0 110.509 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.88 -39.06 83.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.45 -45.3 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 110.376 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.645 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 16.8 t -60.06 -52.17 64.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.59 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.3 mmm -60.4 -40.56 91.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.816 0.846 . . . . 0.0 110.415 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.493 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -56.37 -56.59 19.28 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 125.071 1.348 . . . . 0.0 108.638 176.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.52 -32.27 72.31 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.37 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.8 mm-40 -62.89 -55.57 24.91 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 178.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.41 -40.95 94.03 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 -177.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.72 -27.68 65.11 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.674 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.79 -4.2 59.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.08 0.467 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.25 17.61 62.3 Favored Glycine 0 N--CA 1.432 -1.58 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.914 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -85.4 150.85 24.44 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.2 m -86.31 107.61 18.05 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.03 112.9 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -173.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -76.86 116.97 18.01 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.141 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.94 34.13 7.42 Favored Glycine 0 N--CA 1.431 -1.661 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.568 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -110.98 145.48 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -90.73 99.23 12.3 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.446 -2.428 . . . . 0.0 104.446 172.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.2 ttmm -58.9 -25.71 63.64 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.641 0.776 . . . . 0.0 111.804 -171.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -75.96 -29.67 58.35 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.104 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -4.08 43.4 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -172.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 33' ' ' ILE . 8.6 mp -79.65 -27.24 40.89 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.329 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.04 77.89 7.55 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 122.443 1.116 . . . . 0.0 108.709 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.54 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.9 mt -74.06 -35.67 42.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 113.112 -1.858 . . . . 0.0 112.33 -171.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -84.92 -8.65 58.67 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.61 57.66 8.74 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.607 -0.724 . . . . 0.0 114.25 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -115.28 -7.89 12.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 117.948 0.874 . . . . 0.0 112.115 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.33 60.78 Favored Glycine 0 N--CA 1.44 -1.042 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.252 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.72 148.14 52.33 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.07 103.19 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -134.89 177.56 7.71 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.947 -172.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.78 -18.76 62.22 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.2 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.1 mtt180 -63.52 -38.26 90.46 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -72.01 -36.3 69.67 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.367 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 55' ' ' ILE . 44.5 tp -61.41 -46.08 91.61 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.246 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.95 -33.38 75.89 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 19.4 mm-40 -64.18 -49.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.99 -47.9 81.62 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.215 1.006 . . . . 0.0 111.506 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -54.42 -46.73 70.5 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HZ3' ' HA ' ' A' ' 53' ' ' GLU . 4.4 ttpm? -59.58 -41.08 89.4 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.629 0.772 . . . . 0.0 112.722 177.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.47 -52.88 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 0.0 109.704 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 18' ' ' ILE . 75.6 t . . . . . 0 C--N 1.307 -1.243 0 C-N-CA 124.871 1.268 . . . . 0.0 113.685 -175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 1' ' ' ASN . . . . . . . . 0 CA--C 1.504 -0.639 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.0 t -87.55 -162.95 0.86 Allowed 'General case' 0 C--O 1.254 1.331 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -68.6 80.12 0.28 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.4 m -166.81 -53.91 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 105.053 -2.203 . . . . 0.0 105.053 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.425 ' O ' ' HA3' ' A' ' -3' ' ' GLY . 21.4 t-20 157.76 -57.22 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.1 m -125.37 146.55 49.54 Favored 'General case' 0 N--CA 1.404 -2.742 0 CA-C-N 112.808 -1.996 . . . . 0.0 107.422 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.6 tt -116.22 101.67 12.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 48.2 mt -64.45 115.71 5.4 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.26 -18.76 15.56 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.447 ' HB3' HG23 ' A' ' 3' ' ' ILE . 16.8 t70 -116.02 87.71 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 122.841 1.305 . . . . 0.0 110.574 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.403 HD21 ' HE3' ' A' ' 21' ' ' MET . 7.4 mp -79.28 -36.09 40.3 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 112.804 -1.998 . . . . 0.0 112.862 -173.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.23 -1.74 58.2 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t70 59.92 62.11 1.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.116 1.366 . . . . 0.0 111.078 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -119.13 -2.45 10.73 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.11 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.23 12.21 63.63 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.655 -0.702 . . . . 0.0 114.071 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -152.87 141.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-N 117.285 0.543 . . . . 0.0 111.287 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.22 97.38 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 CA-C-O 121.525 0.679 . . . . 0.0 109.702 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 62' ' ' THR . 33.0 p-10 -126.73 173.97 9.11 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.51 -176.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.22 -16.23 57.65 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 113.828 -178.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.2 mmt180 -72.99 -25.59 61.04 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -70.24 -37.24 74.92 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.87 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -53.5 -44.19 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.534 1.134 . . . . 0.0 110.231 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.668 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 25.5 t -57.06 -53.94 36.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.97 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.0 mmm -59.92 -41.85 92.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.442 1.097 . . . . 0.0 110.412 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.563 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -54.15 -58.28 7.96 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 125.326 1.451 . . . . 0.0 108.949 176.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.03 -31.57 71.98 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.597 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 28.7 mm-40 -62.46 -56.5 17.57 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.58 -42.23 91.96 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.928 -176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 21' ' ' MET . 91.7 mt -56.28 -39.95 73.49 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.979 0.799 . . . . 0.0 111.245 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.73 -18.95 60.93 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.914 0.485 . . . . 0.0 111.431 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.41 19.96 10.81 Favored Glycine 0 N--CA 1.415 -2.723 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.88 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.71 152.96 21.74 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -93.14 110.71 22.21 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.15 110.73 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.301 -171.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -76.15 124.38 27.34 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.74 24.41 27.98 Favored Glycine 0 CA--C 1.498 -1.019 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.51 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 tt -102.91 153.28 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.808 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.66 97.0 8.65 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.2 ttpt -63.59 -16.81 61.89 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -86.78 -21.74 26.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.01 -4.81 54.17 Favored 'General case' 0 CA--C 1.503 -0.833 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.579 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.3 mp -77.98 -28.45 49.33 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.273 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -86.39 78.15 9.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.644 1.212 . . . . 0.0 109.747 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.6 mt -74.68 -36.37 40.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 CA-C-N 113.192 -1.822 . . . . 0.0 112.314 -173.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -81.53 -10.79 59.38 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.527 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.82 58.66 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.918 -0.583 . . . . 0.0 114.155 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -114.64 -10.51 12.48 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 122.439 -0.448 . . . . 0.0 111.053 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.65 -3.72 61.21 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 116.107 -0.497 . . . . 0.0 113.246 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.99 149.72 52.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.835 0.35 . . . . 0.0 110.738 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.58 105.56 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -135.83 177.28 7.95 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.83 -174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -68.45 -18.08 71.28 Favored Glycine 0 C--O 1.217 -0.938 0 C-N-CA 121.729 -0.272 . . . . 0.0 112.638 -177.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 28.0 mmm180 -59.89 -41.21 91.13 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -69.57 -37.12 76.86 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.028 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD13 ' HG2' ' A' ' 21' ' ' MET . 28.3 tp -59.61 -44.93 93.26 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.525 176.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 91.2 mtp -65.62 -36.74 84.58 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.154 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 60.8 mm-40 -65.87 -38.96 90.18 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 122.899 0.48 . . . . 0.0 110.486 174.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.02 -47.23 81.08 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.308 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.6 mt -55.88 -41.64 67.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.8 ttmt -55.9 -50.53 70.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.231 175.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.8 mmmt -64.01 -52.72 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.717 0.77 . . . . 0.0 111.069 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 18' ' ' ILE . 75.0 t -68.34 -33.14 58.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.909 -175.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.6 t -69.31 -33.64 73.46 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -80.71 -48.59 12.35 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.931 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -90.67 -71.44 0.63 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -173.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 14' ' ' ASN . 96.9 m -150.94 128.14 11.23 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -176.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.423 -1.819 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 176.609 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.9 m -68.78 -41.87 78.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.501 0.667 . . . . 0.0 109.769 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -115.0 103.36 10.84 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.76 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 44.6 m -131.44 84.57 2.19 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 53.6 t30 158.57 -43.97 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.202 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 m -96.27 128.62 43.36 Favored 'General case' 0 N--CA 1.404 -2.736 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.067 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.4 tt -117.03 106.1 19.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.029 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.39 113.42 2.91 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.475 -175.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.62 -16.59 21.36 Favored Glycine 0 N--CA 1.427 -1.917 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.975 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.7 t0 -118.87 87.97 2.84 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.897 1.332 . . . . 0.0 109.764 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 17' ' ' ASP . 6.8 mp -78.79 -37.0 42.0 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 112.865 -1.971 . . . . 0.0 111.8 -172.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -87.32 -4.1 59.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.468 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 57.97 62.67 1.99 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.907 1.283 . . . . 0.0 111.383 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 p30 -115.4 -6.13 12.31 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.763 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.82 53.08 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.725 -0.671 . . . . 0.0 114.772 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 p -156.23 149.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.74 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -78.34 97.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 122.036 0.922 . . . . 0.0 109.913 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -126.04 176.32 7.1 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.031 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.3 -21.67 64.52 Favored Glycine 0 N--CA 1.472 1.076 0 N-CA-C 113.708 0.243 . . . . 0.0 113.708 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -63.15 -32.14 73.46 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.485 0.714 . . . . 0.0 110.704 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' HB3' HD13 ' A' ' 7' ' ' LEU . 55.2 m-20 -69.47 -38.95 77.94 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.942 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.46 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -53.12 -42.39 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.228 1.011 . . . . 0.0 110.442 175.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.619 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 24.3 t -60.48 -52.7 58.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.81 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 69.6 mmm -62.13 -38.8 90.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.77 0.828 . . . . 0.0 110.598 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.564 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -54.61 -56.54 17.96 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 125.4 1.48 . . . . 0.0 108.971 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -63.76 -33.92 76.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.284 -1.325 . . . . 0.0 112.841 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.5 mm-40 -59.61 -57.37 13.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.354 0.597 . . . . 0.0 110.285 177.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -66.37 -41.42 89.48 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.954 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.46 -33.32 67.83 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.781 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.81 -1.88 48.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.039 0.447 . . . . 0.0 111.234 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.01 18.69 57.46 Favored Glycine 0 N--CA 1.43 -1.739 0 CA-C-N 116.161 -0.472 . . . . 0.0 113.155 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -89.08 154.52 20.11 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.002 0.43 . . . . 0.0 110.669 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m -90.61 113.74 25.85 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.74 115.91 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 p -76.25 117.51 18.01 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.2 34.11 13.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.134 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt -103.7 146.29 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -89.78 97.84 11.42 Favored 'General case' 0 CA--C 1.482 -1.651 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -53.03 -28.6 25.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.051 0.94 . . . . 0.0 112.753 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -86.06 -18.75 31.58 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -173.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.24 -9.08 59.06 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 7' ' ' LEU . 7.8 mp -77.03 -25.75 52.94 Favored 'General case' 0 C--O 1.199 -1.579 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.721 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.27 76.09 9.22 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 122.995 1.378 . . . . 0.0 109.67 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -75.0 -34.66 32.95 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.202 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -82.74 -8.87 59.56 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.605 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.96 58.42 6.8 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 114.924 0.73 . . . . 0.0 114.924 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -115.19 -18.22 11.19 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 117.128 0.464 . . . . 0.0 111.255 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.9 -1.14 51.79 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 121.303 -0.475 . . . . 0.0 113.486 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.26 152.2 51.93 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 122.486 -0.42 . . . . 0.0 110.18 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.68 105.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -135.47 175.98 9.09 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.05 -20.89 69.35 Favored Glycine 0 C--O 1.218 -0.855 0 CA-C-N 116.55 -0.295 . . . . 0.0 112.444 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -60.55 -40.12 90.4 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.05 0.54 . . . . 0.0 109.808 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -69.42 -39.69 77.71 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.884 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD13 ' HG2' ' A' ' 21' ' ' MET . 37.2 tp -58.39 -44.79 89.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.593 175.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.13 -40.58 94.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.524 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 68.0 mm-40 -64.73 -40.9 96.1 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 176.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.2 tp -63.24 -47.03 84.19 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 122.804 0.442 . . . . 0.0 110.824 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.19 -40.81 82.01 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -58.18 -43.08 87.33 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.358 1.063 . . . . 0.0 111.523 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.8 mmmt -68.1 -49.56 60.45 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.845 0.458 . . . . 0.0 110.893 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG21 ' CD1' ' A' ' 18' ' ' ILE . 69.9 t -69.87 -35.35 64.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 123.787 0.835 . . . . 0.0 112.302 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.4 m -71.11 -20.95 62.27 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.338 0.589 . . . . 0.0 110.216 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -80.98 -48.62 12.01 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.179 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -159.74 132.0 6.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.943 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 m 77.02 137.66 0.06 Allowed 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 125.916 1.686 . . . . 0.0 113.652 174.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 C--O 1.25 1.082 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 176.609 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.961 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.5 p -134.99 96.42 3.51 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 116.911 0.355 . . . . 0.0 111.153 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 67.43 -72.43 0.09 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 125.332 1.453 . . . . 0.0 112.7 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 44.1 m -124.23 108.66 12.5 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.433 HD22 ' C ' ' A' ' 1' ' ' ASN . 0.1 OUTLIER -132.49 91.07 2.87 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -177.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.5 m -79.38 115.89 19.3 Favored 'General case' 0 N--CA 1.413 -2.3 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.092 174.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.6 tt -120.77 107.61 20.97 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.418 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.077 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.43 118.47 5.2 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.978 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.85 -20.85 23.89 Favored Glycine 0 N--CA 1.424 -2.122 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.288 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 3' ' ' ILE . 4.0 t70 -111.81 93.04 4.26 Favored 'General case' 0 N--CA 1.414 -2.263 0 CA-C-O 122.211 1.005 . . . . 0.0 109.569 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 7.1 mp -79.25 -35.77 40.94 Favored 'General case' 0 C--N 1.279 -2.47 0 CA-C-N 113.804 -1.544 . . . . 0.0 112.537 -173.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -90.46 -3.29 57.75 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.501 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 t0 58.49 64.42 1.47 Allowed 'General case' 0 C--O 1.242 0.664 0 CA-C-O 122.562 1.172 . . . . 0.0 112.344 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.0 p30 -118.87 -6.3 10.55 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.877 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.24 10.8 70.58 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 115.083 0.793 . . . . 0.0 115.083 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.35 124.8 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.57 0 CA-C-O 121.247 0.546 . . . . 0.0 110.793 -177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 57' ' ' LYS . 22.3 m -70.87 97.86 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 CA-C-O 121.654 0.74 . . . . 0.0 110.133 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -126.71 -171.09 2.33 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.54 -24.24 70.87 Favored Glycine 0 C--N 1.313 -0.75 0 CA-C-N 115.656 -0.702 . . . . 0.0 114.447 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.0 mmt180 -65.78 -29.67 70.2 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 117.326 0.563 . . . . 0.0 110.083 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.17 -41.99 76.46 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.43 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.8 -42.35 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.703 1.201 . . . . 0.0 110.566 174.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.627 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.6 t -62.93 -53.02 52.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.909 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 75.6 mmm -60.16 -38.25 82.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.833 0.853 . . . . 0.0 110.749 -177.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.54 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.9 tpt -55.62 -56.56 18.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 124.967 1.307 . . . . 0.0 108.859 177.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.63 -29.38 70.39 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.582 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.5 mm-40 -62.78 -57.75 9.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.025 0.44 . . . . 0.0 109.839 177.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.84 -42.86 94.58 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.642 -176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.112 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.56 -11.98 60.61 Favored 'General case' 0 C--O 1.244 0.763 0 CA-C-O 120.844 0.354 . . . . 0.0 111.481 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 22.56 18.56 Favored Glycine 0 N--CA 1.424 -2.164 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -96.77 151.17 19.91 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.6 m -91.17 113.03 25.19 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.92 114.43 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -174.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -76.42 120.25 21.4 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.588 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.27 17.31 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.5 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -102.35 144.45 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.94 96.39 10.66 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.236 -2.135 . . . . 0.0 105.236 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.4 ttmt -55.79 -31.5 62.67 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -170.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -78.64 -15.86 58.01 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.96 -5.07 58.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.963 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.1 mp -80.75 -27.14 36.91 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.333 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -85.44 77.34 9.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.805 1.288 . . . . 0.0 109.658 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -74.35 -36.7 43.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.084 -173.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -81.15 -11.55 59.43 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.539 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.78 58.33 5.85 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.268 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -114.57 -14.39 12.09 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 122.142 -0.622 . . . . 0.0 110.736 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.12 -11.22 55.43 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.407 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.61 154.68 41.92 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 117.29 0.545 . . . . 0.0 110.405 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -95.0 105.27 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.159 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -135.71 178.44 7.04 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.26 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.91 68.8 Favored Glycine 0 C--O 1.224 -0.519 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.725 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -65.66 -39.95 91.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.74 -40.57 84.16 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.427 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.54 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.1 tp -57.39 -46.95 82.89 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.072 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 53.2 mtt -66.94 -31.54 72.19 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.191 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.0 mm-40 -68.22 -41.04 81.87 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.73 -45.76 91.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.337 0.655 . . . . 0.0 111.156 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.4 mt -59.85 -43.21 91.44 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.48 -47.67 72.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.057 0.943 . . . . 0.0 111.49 173.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.2 mmmt -60.22 -54.23 48.27 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.462 0.705 . . . . 0.0 110.643 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 61' ' ' ASN . 47.2 t -75.53 -28.11 19.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.694 -174.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.3 t -62.95 -33.15 74.76 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -86.31 -34.74 20.22 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.431 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 9.0 t30 -138.87 124.7 19.78 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 63' ' ' SER . 1.6 m 72.29 -161.97 0.11 Allowed 'General case' 0 CA--C 1.572 1.793 0 C-N-CA 125.714 1.606 . . . . 0.0 110.94 177.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.592 ' H ' HG22 ' A' ' 62' ' ' THR . 46.0 m . . . . . 0 N--CA 1.431 -1.421 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.325 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.3 m -104.73 69.13 0.87 Allowed 'General case' 0 C--N 1.299 -1.587 0 CA-C-O 121.599 0.714 . . . . 0.0 111.045 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -106.36 134.54 49.33 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 34.3 m 79.06 -34.41 0.16 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.071 1.748 . . . . 0.0 111.083 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -108.37 73.99 0.91 Allowed 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 104.783 -2.302 . . . . 0.0 104.783 166.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m -115.82 136.82 52.68 Favored 'General case' 0 N--CA 1.406 -2.649 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.043 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.1 tt -103.31 101.06 11.65 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.472 0 CA-C-O 122.345 1.069 . . . . 0.0 108.483 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.0 mt -67.25 109.58 3.16 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.287 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.6 -14.88 9.19 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.698 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.487 ' HB3' HG23 ' A' ' 3' ' ' ILE . 16.0 t0 -119.0 85.07 2.3 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 123.099 1.428 . . . . 0.0 110.367 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.94 -33.66 45.16 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.359 -2.2 . . . . 0.0 111.98 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -89.53 -2.24 58.29 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.662 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.14 63.39 1.91 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.537 1.135 . . . . 0.0 111.748 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -120.9 1.41 10.44 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.681 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.03 61.96 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 114.997 0.759 . . . . 0.0 114.997 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.89 147.34 13.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 117.363 0.581 . . . . 0.0 111.659 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.52 100.14 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 CA-C-O 121.994 0.902 . . . . 0.0 109.095 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -126.11 174.68 8.3 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.921 -177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.65 -19.42 62.72 Favored Glycine 0 N--CA 1.464 0.56 0 CA-C-N 116.494 -0.321 . . . . 0.0 113.843 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.3 mmt180 -66.43 -32.06 73.21 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -67.59 -38.75 84.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.744 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -53.47 -44.38 55.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 124.182 0.993 . . . . 0.0 110.234 174.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.649 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 26.5 t -58.52 -54.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.67 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.5 mmm -57.99 -41.31 82.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.236 1.015 . . . . 0.0 110.684 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.538 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.79 -57.36 11.88 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.479 1.512 . . . . 0.0 108.994 177.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -64.59 -30.81 71.84 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.75 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -62.81 -56.78 14.41 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 123.262 0.351 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -63.99 -43.49 95.54 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.566 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.54 -33.55 71.55 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.061 0.851 . . . . 0.0 112.243 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.48 59.28 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.928 0.394 . . . . 0.0 110.808 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.5 14.33 8.97 Favored Glycine 0 N--CA 1.413 -2.836 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.531 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -89.12 151.94 21.92 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 117.401 0.601 . . . . 0.0 109.965 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.6 m -98.04 106.42 18.71 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 175.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.31 110.37 21.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.904 -171.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.7 t -76.13 119.57 20.23 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 19.71 25.15 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.061 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.46 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.8 tt -103.28 148.47 8.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.05 102.24 15.0 Favored 'General case' 0 CA--C 1.475 -1.928 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.3 ttpt -63.71 -22.69 67.03 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 123.7 0.625 . . . . 0.0 111.9 -172.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -75.02 -26.24 59.34 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.114 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.26 -4.27 55.03 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.574 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.2 mp -79.72 -27.3 40.65 Favored 'General case' 0 C--O 1.197 -1.681 0 O-C-N 123.775 0.672 . . . . 0.0 111.646 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -88.09 78.5 8.15 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.464 1.126 . . . . 0.0 109.194 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.521 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 54.2 mt -73.91 -37.68 48.37 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.472 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -82.95 -5.5 59.08 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.708 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.77 56.15 14.15 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 115.437 -0.801 . . . . 0.0 114.69 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -111.87 -8.33 14.12 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 117.359 0.579 . . . . 0.0 110.859 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.56 -6.9 59.32 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 115.916 -0.584 . . . . 0.0 113.013 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.59 151.42 51.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 0.0 111.522 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.41 106.62 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.885 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -136.67 178.26 7.21 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.218 -176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.93 -18.17 68.4 Favored Glycine 0 C--O 1.221 -0.706 0 C-N-CA 121.613 -0.327 . . . . 0.0 113.46 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.92 -41.44 91.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 121.234 0.54 . . . . 0.0 109.66 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.74 -39.86 80.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.731 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD13 ' HG2' ' A' ' 21' ' ' MET . 34.6 tp -59.04 -44.69 91.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.744 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 71.4 mtp -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.672 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 52.1 mm-40 -68.07 -39.15 83.0 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.218 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.14 -46.32 87.76 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.235 0.614 . . . . 0.0 110.932 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 51' ' ' LEU . 89.9 mt -56.55 -48.88 79.67 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.507 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 64.6 tttt -51.98 -46.28 64.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.543 1.137 . . . . 0.0 112.196 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -61.51 -55.44 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.512 0.725 . . . . 0.0 111.19 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.408 HG21 ' CD1' ' A' ' 18' ' ' ILE . 70.3 t -70.21 -25.79 28.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.769 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.8 m -66.63 -28.41 68.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.305 0.574 . . . . 0.0 110.088 175.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -90.6 -46.63 8.17 Favored 'General case' 0 N--CA 1.413 -2.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -132.69 126.33 32.31 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 m 64.71 161.43 0.12 Allowed 'General case' 0 CA--C 1.583 2.219 0 C-N-CA 125.241 1.416 . . . . 0.0 113.929 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.255 1.391 0 O-C-N 120.957 -1.09 . . . . 0.0 109.206 176.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.271 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.0 m 66.61 177.01 0.23 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.601 1.16 . . . . 0.0 111.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 70.04 84.26 0.14 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.841 1.257 . . . . 0.0 111.669 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 37.0 t 71.46 127.7 0.03 OUTLIER 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.727 1.611 . . . . 0.0 110.991 -176.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -103.29 1.34 32.72 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.5 m -81.79 118.03 22.55 Favored 'General case' 0 N--CA 1.415 -2.205 0 CA-C-O 121.696 0.76 . . . . 0.0 110.732 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.498 HG23 ' HB3' ' A' ' 6' ' ' ASP . 2.9 tt -122.43 107.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.111 0 CA-C-N 114.236 -1.347 . . . . 0.0 107.663 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 41.8 mt -61.85 111.38 1.86 Allowed 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.515 -175.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.98 -20.53 10.67 Favored Glycine 0 N--CA 1.426 -2.002 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.027 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.498 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.2 t0 -116.73 88.77 2.97 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-O 122.971 1.367 . . . . 0.0 109.615 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.76 -38.8 37.74 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.891 -1.958 . . . . 0.0 111.866 -172.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -86.88 -3.17 59.04 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.793 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 60.29 62.48 1.58 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 122.73 1.253 . . . . 0.0 111.556 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -119.5 3.54 11.23 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.769 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.48 5.24 75.66 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.091 -0.958 . . . . 0.0 114.601 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -151.28 139.65 14.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 116.962 0.381 . . . . 0.0 111.472 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.404 HG21 ' HB3' ' A' ' 57' ' ' LYS . 30.4 m -74.13 98.13 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-O 121.862 0.839 . . . . 0.0 109.055 172.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 62' ' ' THR . 32.3 p-10 -126.33 177.7 6.28 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.144 -175.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -62.04 -24.25 64.76 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.861 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.1 mmt180 -65.04 -31.72 73.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 122.666 -0.314 . . . . 0.0 110.507 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.83 -39.59 90.97 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.978 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.503 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -51.67 -45.12 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.548 175.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.668 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -60.51 -54.08 39.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.597 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 70.7 mmm -57.55 -42.4 82.93 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.29 1.036 . . . . 0.0 110.601 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.501 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -55.24 -57.17 12.89 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 109.199 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -30.25 71.35 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.049 -1.432 . . . . 0.0 112.569 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 30.3 mm-40 -62.8 -57.24 11.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.634 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -65.16 -41.79 94.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.913 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.51 -33.87 68.5 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.441 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.01 -0.03 26.27 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.979 0.511 . . . . 0.0 111.858 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.53 61.78 Favored Glycine 0 N--CA 1.419 -2.485 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.854 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 28' ' ' LYS . 48.9 mtpt -88.54 157.36 18.64 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 117.41 0.605 . . . . 0.0 109.58 177.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.3 m -97.84 113.64 25.49 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.2 108.97 19.21 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.388 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -76.04 116.79 17.09 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.11 32.13 8.06 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.745 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.6 tt -110.84 152.57 12.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.15 97.8 11.36 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 105.118 -2.178 . . . . 0.0 105.118 170.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.0 ttpt -60.02 -18.87 49.41 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.896 0.878 . . . . 0.0 112.687 -172.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.54 -21.75 25.24 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 122.95 0.5 . . . . 0.0 109.808 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.52 -4.23 53.15 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.043 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.2 mp -78.88 -25.48 43.9 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.85 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.13 76.99 9.18 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-O 122.637 1.208 . . . . 0.0 108.668 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.8 mt -74.17 -34.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 112.838 -1.983 . . . . 0.0 111.946 -173.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.882 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.51 58.41 5.45 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.923 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -114.66 -13.44 12.1 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 117.236 0.518 . . . . 0.0 111.046 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.98 -9.25 54.91 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.527 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.09 153.58 47.51 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 117.237 0.519 . . . . 0.0 110.573 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' A' ' 38' ' ' LEU . 58.9 t -92.32 104.97 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.36 178.86 6.74 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.713 -174.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.22 -16.79 69.42 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.626 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -62.38 -42.8 99.69 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -68.06 -40.96 82.64 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.57 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.501 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.5 tp -57.65 -43.83 85.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.908 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 40.3 mtt -69.9 -29.86 67.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.143 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.3 mm-40 -70.19 -38.29 75.3 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.81 -45.01 91.55 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 51' ' ' LEU . 77.0 mt -57.57 -45.87 86.2 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.4 tttt -54.14 -49.49 69.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.387 1.075 . . . . 0.0 111.412 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.4 mmmt -63.43 -56.48 15.86 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.32 0.648 . . . . 0.0 111.734 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 18' ' ' ILE . 71.7 t -66.02 -38.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 123.966 0.907 . . . . 0.0 113.255 -175.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.3 m -71.97 -24.07 61.53 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.537 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -88.71 -34.45 17.18 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.85 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -104.75 -71.15 0.75 Allowed 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.471 ' O ' HG13 ' A' ' 58' ' ' VAL . 95.5 m -151.29 138.43 19.22 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 119.32 0.964 . . . . 0.0 112.253 -172.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.44 ' OXT' ' HB2' ' A' ' 14' ' ' ASN . 2.3 p . . . . . 0 C--O 1.259 1.57 0 C-N-CA 123.216 0.606 . . . . 0.0 109.934 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.814 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.6 m -95.93 178.91 5.27 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -79.0 0.65 26.79 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.373 0.606 . . . . 0.0 112.008 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.6 m -140.65 133.42 28.94 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -89.53 70.9 7.97 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 122.657 1.218 . . . . 0.0 107.806 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 36' ' ' ASN . 88.5 m -84.89 121.87 28.36 Favored 'General case' 0 C--N 1.278 -2.522 0 CA-C-N 113.144 -1.844 . . . . 0.0 110.351 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.517 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.3 tt -114.76 106.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.369 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.988 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.7 mt -60.32 115.37 3.48 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.366 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.12 -15.34 20.88 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.2 t0 -118.53 84.76 2.24 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-O 122.612 1.196 . . . . 0.0 109.354 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.17 -37.17 46.42 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.618 -173.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -85.64 -3.83 58.99 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 59.55 63.11 1.59 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 124.572 1.17 . . . . 0.0 111.92 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -122.3 4.55 9.72 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.65 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.38 10.96 72.97 Favored Glycine 0 CA--C 1.499 -0.93 0 N-CA-C 114.884 0.714 . . . . 0.0 114.884 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -154.45 142.69 13.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 117.114 0.457 . . . . 0.0 110.345 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -78.7 96.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.175 0 CA-C-O 122.028 0.918 . . . . 0.0 108.94 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -125.07 174.66 7.88 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.996 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -60.79 -24.41 62.37 Favored Glycine 0 N--CA 1.47 0.9 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.24 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.2 mmt180 -64.32 -31.29 72.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.837 0.351 . . . . 0.0 110.34 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -68.08 -37.7 81.52 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.273 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.539 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.33 -45.06 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.117 0.967 . . . . 0.0 110.164 175.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.623 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.7 t -59.26 -52.71 57.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.657 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.7 mmm -60.02 -41.8 92.98 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.157 0.983 . . . . 0.0 110.462 -176.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.2 tpt -54.37 -57.44 11.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.309 1.443 . . . . 0.0 108.679 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.47 -35.39 75.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.648 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 7.6 mm-40 -60.37 -55.34 34.75 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 120.875 0.369 . . . . 0.0 110.627 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -66.16 -41.74 89.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.932 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 21' ' ' MET . 85.0 mt -55.79 -40.22 72.38 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.0 0.813 . . . . 0.0 111.234 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.14 60.91 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.72 15.5 10.14 Favored Glycine 0 N--CA 1.422 -2.277 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.392 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -88.1 148.88 24.25 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -85.36 107.61 17.44 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.91 111.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.02 117.52 17.82 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.34 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.97 31.79 28.09 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.678 -0.773 . . . . 0.0 113.292 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 38' ' ' LEU . 18.3 tt -97.17 150.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -85.54 99.92 11.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 169.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.0 ttpt -69.67 -12.09 61.36 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 123.82 0.7 . . . . 0.0 112.077 -170.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.425 ' HB2' HG21 ' A' ' 2' ' ' THR . 17.7 m-80 -88.23 -24.95 23.11 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.76 35.87 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.145 -173.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.5 mp -78.55 -24.25 45.74 Favored 'General case' 0 CA--C 1.478 -1.827 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.297 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -92.02 74.64 5.55 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-O 122.832 1.301 . . . . 0.0 110.132 -175.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.448 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 33.6 mt -74.31 -28.5 22.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 112.813 -1.994 . . . . 0.0 112.185 -172.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -85.96 -9.87 56.13 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.196 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.48 51.57 47.2 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.645 -0.707 . . . . 0.0 114.8 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 p30 -114.81 -19.33 11.06 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 117.742 0.771 . . . . 0.0 110.86 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.87 -10.59 55.79 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 121.359 -0.448 . . . . 0.0 113.724 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.15 130.89 53.93 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 117.537 0.668 . . . . 0.0 109.748 177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.21 107.92 14.67 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.596 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -135.55 177.36 7.88 Favored 'General case' 0 C--N 1.285 -2.237 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.724 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.75 -15.16 57.36 Favored Glycine 0 C--O 1.22 -0.751 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.025 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.5 mtm180 -67.85 -34.08 76.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -72.91 -38.49 66.86 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.541 HD13 ' HG2' ' A' ' 21' ' ' MET . 43.5 tp -58.86 -43.79 90.88 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.028 175.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 67.7 mtt -62.33 -37.51 85.91 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 177.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.612 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.78 -39.21 84.1 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.58 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.47 -47.69 78.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.616 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.9 mt -58.39 -44.25 88.2 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -52.8 -46.81 67.83 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.424 1.089 . . . . 0.0 111.66 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -64.49 -54.6 29.9 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.202 0.601 . . . . 0.0 110.747 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 18' ' ' ILE . 59.5 t -68.24 -24.98 30.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 C-N-CA 123.657 0.783 . . . . 0.0 112.04 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.6 m -74.49 -31.73 62.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.963 0.411 . . . . 0.0 110.756 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -75.61 -34.25 60.58 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 122.212 1.006 . . . . 0.0 108.488 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -85.79 179.26 7.08 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 175.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.5 m -110.68 76.72 1.0 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.614 -1.304 . . . . 0.0 111.029 177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.266 1.924 0 C-N-CA 125.545 1.538 . . . . 0.0 112.432 178.266 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.753 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 26.2 m -134.52 85.09 2.16 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 63.74 10.17 4.92 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.605 1.562 . . . . 0.0 112.182 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.0 t -178.87 163.83 1.44 Allowed 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 -174.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.13 -15.35 47.52 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.8 m -64.97 132.45 49.32 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG23 ' HB3' ' A' ' 6' ' ' ASP . 6.0 tt -128.74 103.82 10.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.066 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.464 -174.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.5 mt -60.0 118.51 6.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.767 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.45 -15.76 29.66 Favored Glycine 0 N--CA 1.42 -2.394 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.394 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' A' ' 3' ' ' ILE . 17.6 t0 -117.18 86.07 2.44 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-O 122.938 1.352 . . . . 0.0 109.438 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.417 HD13 ' HB3' ' A' ' 17' ' ' ASP . 6.9 mp -78.77 -36.35 43.11 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 112.812 -1.994 . . . . 0.0 111.72 -173.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -85.92 -4.94 59.29 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 59.37 62.37 1.81 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.708 1.242 . . . . 0.0 111.416 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -118.17 3.89 12.0 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.758 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.04 8.94 74.7 Favored Glycine 0 N--CA 1.438 -1.19 0 CA-C-N 115.026 -0.988 . . . . 0.0 114.144 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -153.5 139.73 11.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 CA-C-N 117.148 0.474 . . . . 0.0 111.269 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.43 97.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 CA-C-O 121.463 0.649 . . . . 0.0 109.412 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 62' ' ' THR . 29.3 p-10 -126.19 177.3 6.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.776 -176.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.3 -25.6 62.81 Favored Glycine 0 N--CA 1.469 0.85 0 CA-C-N 116.11 -0.495 . . . . 0.0 114.146 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' MET . 29.7 mmt180 -63.15 -31.45 72.59 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.573 -0.369 . . . . 0.0 110.786 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' HB3' HD13 ' A' ' 7' ' ' LEU . 51.9 m-20 -65.98 -39.51 90.42 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.31 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.507 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -52.38 -45.22 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.391 1.076 . . . . 0.0 110.23 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 38.9 t -59.3 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -64.64 -39.28 93.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.058 0.943 . . . . 0.0 110.479 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.566 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -56.71 -55.37 34.97 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 124.995 1.318 . . . . 0.0 108.567 176.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -63.35 -32.38 73.79 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.292 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 15.2 mm-40 -60.9 -58.12 9.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -64.02 -42.41 97.13 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.002 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -57.56 -33.67 68.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 123.829 0.706 . . . . 0.0 112.239 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.31 -7.34 57.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.304 0.573 . . . . 0.0 110.923 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.82 24.14 31.02 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.102 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -96.06 152.12 18.83 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -91.07 122.42 33.7 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -105.33 115.73 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 t -75.6 119.86 20.23 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.45 23.02 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.2 -0.524 . . . . 0.0 113.002 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' HD11 ' A' ' 38' ' ' LEU . 18.1 tt -102.68 148.87 7.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.396 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.15 101.55 14.27 Favored 'General case' 0 CA--C 1.483 -1.615 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -24.78 66.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.869 0.843 . . . . 0.0 112.521 -171.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -82.08 -22.98 36.04 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.61 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.28 -2.35 48.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.546 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 33' ' ' ILE . 9.5 mp -79.39 -29.72 42.17 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.536 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -87.88 76.52 8.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.681 1.229 . . . . 0.0 110.08 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 39.0 mt -74.43 -33.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.604 -171.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.46 -12.02 56.82 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.438 -0.905 . . . . 0.0 110.305 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.32 58.31 5.59 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 115.989 -0.55 . . . . 0.0 114.148 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -114.66 -14.83 12.02 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 117.034 0.417 . . . . 0.0 111.638 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.48 55.2 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.541 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.97 156.3 41.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.992 0.396 . . . . 0.0 110.092 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.41 HG11 HD23 ' A' ' 38' ' ' LEU . 46.9 t -98.76 106.75 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.362 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.0 179.37 6.39 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.245 -173.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 -21.57 71.1 Favored Glycine 0 C--O 1.216 -0.971 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.117 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.0 mmm-85 -54.85 -45.48 74.55 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 123.264 0.626 . . . . 0.0 109.692 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -67.59 -37.58 82.79 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.957 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.566 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.8 tp -61.78 -44.63 96.49 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.663 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.3 mtt -65.64 -33.11 75.14 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.895 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 32.6 mm-40 -68.14 -43.86 77.38 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.561 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.9 -47.53 85.98 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 123.646 0.779 . . . . 0.0 110.867 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.0 mt -55.33 -41.7 63.14 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 35.4 ttpt -59.61 -50.76 72.62 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 122.844 0.458 . . . . 0.0 111.357 175.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.4 mmmt -59.76 -49.58 77.17 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.876 0.846 . . . . 0.0 110.832 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 18' ' ' ILE . 86.4 t -74.26 -30.7 27.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.271 -175.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.4 p -76.53 -33.11 58.59 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.318 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -65.93 -49.56 67.54 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.213 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -95.8 -82.69 0.38 Allowed 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -174.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 14' ' ' ASN . 43.3 m -152.71 133.88 14.23 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 121.965 -0.459 . . . . 0.0 109.887 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.43 -1.44 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.521 177.379 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.078 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.6 t 77.26 146.64 0.09 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.471 1.509 . . . . 0.0 110.947 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -123.25 92.56 3.72 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 42.4 m 70.08 -60.5 0.48 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.599 1.56 . . . . 0.0 112.075 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -159.28 101.71 1.57 Allowed 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 36' ' ' ASN . 51.9 m -82.24 121.37 26.56 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.673 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.431 HG23 ' HB3' ' A' ' 6' ' ' ASP . 5.3 tt -119.94 102.41 12.62 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 114.557 -1.202 . . . . 0.0 108.757 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.44 117.65 4.71 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.292 0.637 . . . . 0.0 111.19 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.64 -21.89 20.42 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.7 t0 -114.99 88.36 2.85 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 122.602 1.191 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.87 -37.25 40.73 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.32 -173.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.44 -7.12 58.69 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.028 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t70 61.6 63.32 1.18 Allowed 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.479 1.133 . . . . 0.0 111.879 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -121.56 0.95 10.02 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.93 6.51 67.06 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 115.225 0.85 . . . . 0.0 115.225 173.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.0 142.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 117.339 0.57 . . . . 0.0 110.994 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.93 96.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.967 0.889 . . . . 0.0 110.006 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -125.67 179.21 5.26 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.992 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.494 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.93 -19.7 67.94 Favored Glycine 0 N--CA 1.471 0.996 0 CA-C-N 116.074 -0.512 . . . . 0.0 113.292 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.1 mmt180 -69.67 -29.8 67.32 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -68.44 -39.66 81.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.494 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.7 mp -50.77 -43.03 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 124.352 1.033 . . . . 0.0 110.64 174.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.642 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.3 t -61.64 -54.65 31.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.788 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.1 mmm -57.09 -42.2 80.26 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.384 1.074 . . . . 0.0 110.36 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.521 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -54.67 -57.35 11.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 125.582 1.553 . . . . 0.0 109.159 177.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -63.65 -33.38 75.49 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.298 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.1 mm-40 -60.51 -55.36 34.38 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.049 0.452 . . . . 0.0 110.72 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.71 -43.1 90.15 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.315 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.99 -35.94 71.93 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.776 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.96 -22.74 60.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.16 0.505 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.93 25.39 6.82 Favored Glycine 0 N--CA 1.415 -2.727 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.758 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -93.01 158.64 15.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.267 0.534 . . . . 0.0 110.111 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -94.89 109.72 21.68 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.78 119.41 41.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -173.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -76.03 126.79 31.65 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.321 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.86 31.32 49.31 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.094 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.6 tt -102.35 146.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -91.88 99.73 12.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 169.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.511 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.1 ttmt -63.71 -16.45 61.12 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.212 1.005 . . . . 0.0 112.521 -171.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.417 ' HB2' HG21 ' A' ' 2' ' ' THR . 6.8 m-80 -89.68 -24.07 21.69 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -8.19 57.29 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.505 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 35' ' ' LYS . 7.6 mp -75.96 -28.21 57.82 Favored 'General case' 0 C--O 1.196 -1.721 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -86.19 77.45 9.56 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.877 1.322 . . . . 0.0 109.522 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mt -74.54 -37.98 45.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.63 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.455 ' HB3' ' HG3' ' A' ' 53' ' ' GLU . 21.9 p-10 -80.51 -7.93 59.38 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.585 -178.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.82 58.39 7.65 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.684 -0.689 . . . . 0.0 114.281 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -114.81 -13.91 11.99 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 117.398 0.599 . . . . 0.0 111.353 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.22 -5.32 57.49 Favored Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.341 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.43 148.8 52.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 117.035 0.418 . . . . 0.0 110.655 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.73 105.01 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.004 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -135.84 176.87 8.29 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.261 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.84 -15.47 66.92 Favored Glycine 0 N--CA 1.469 0.881 0 CA-C-N 116.625 -0.262 . . . . 0.0 112.955 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 25.3 mmm180 -62.84 -43.7 98.09 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -68.51 -36.72 79.28 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.909 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 21' ' ' MET . 29.7 tp -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.395 176.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.09 -32.57 73.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.549 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 63.7 mm-40 -67.9 -39.27 83.63 Favored 'General case' 0 C--O 1.206 -1.219 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.441 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.62 -44.05 91.78 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -59.28 -40.27 80.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 175.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.0 ttmt -56.96 -55.25 37.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.489 0.716 . . . . 0.0 110.107 173.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.2 mmmt -55.88 -53.31 58.37 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.213 1.005 . . . . 0.0 112.481 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' A' ' 18' ' ' ILE . 58.3 t -69.25 -33.77 59.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.032 -177.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.4 m -70.05 -38.32 75.78 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 119.626 -0.83 . . . . 0.0 109.887 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -65.9 -58.82 4.69 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.689 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -67.08 -43.47 82.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.048 -176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m 76.44 125.89 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.61 1.164 . . . . 0.0 111.738 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.311 -1.068 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 -178.42 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.512 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.3 m -71.72 123.01 21.65 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 123.076 0.55 . . . . 0.0 110.098 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.97 95.71 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.3 m -133.76 149.8 51.46 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.82 64.02 7.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.755 1.264 . . . . 0.0 110.241 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.1 m -126.41 139.41 53.29 Favored 'General case' 0 N--CA 1.411 -2.398 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.422 HG23 ' HB3' ' A' ' 6' ' ' ASP . 10.7 tt -105.78 101.25 12.13 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 122.187 0.994 . . . . 0.0 109.81 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 52.0 mt -68.42 111.26 4.56 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.495 -178.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.47 -18.29 9.43 Favored Glycine 0 N--CA 1.429 -1.805 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.207 -177.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.422 ' HB3' HG23 ' A' ' 3' ' ' ILE . 20.6 t70 -114.52 89.22 3.04 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 122.704 1.24 . . . . 0.0 110.442 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.57 -34.91 46.63 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.12 -1.854 . . . . 0.0 112.665 -171.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -90.49 -2.2 57.91 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.958 0.409 . . . . 0.0 111.149 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.6 t70 59.98 63.4 1.46 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.552 1.168 . . . . 0.0 111.653 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -118.69 -1.9 11.04 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.854 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.8 -2.25 69.45 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.569 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -146.65 138.27 18.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 117.516 0.658 . . . . 0.0 112.315 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.18 96.96 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-O 122.267 1.032 . . . . 0.0 110.182 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -125.46 -177.11 3.78 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.146 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -68.28 -20.34 73.18 Favored Glycine 0 C--N 1.343 0.919 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.818 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 20' ' ' MET . 36.8 mmt180 -67.16 -31.12 71.33 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 122.796 0.438 . . . . 0.0 110.288 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -68.8 -40.26 79.67 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.182 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.454 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -51.95 -45.42 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.105 0.962 . . . . 0.0 110.225 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.68 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 37.4 t -56.8 -54.44 29.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.731 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 78.0 mmm -61.46 -39.8 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.979 -175.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.49 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.6 tpt -54.17 -57.96 9.16 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 125.137 1.375 . . . . 0.0 109.471 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -64.11 -31.85 73.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.368 -1.742 . . . . 0.0 112.17 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 86.4 mm-40 -61.24 -59.0 5.98 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 123.542 0.526 . . . . 0.0 109.872 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.54 -44.53 93.95 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.962 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.0 mt -57.2 -35.49 69.7 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 124.122 0.889 . . . . 0.0 112.141 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 -9.21 58.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.921 0.391 . . . . 0.0 111.615 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.2 23.03 20.94 Favored Glycine 0 N--CA 1.416 -2.682 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.593 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -99.12 147.09 25.44 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.5 m -99.58 111.33 23.69 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.96 111.42 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.762 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.422 -171.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -73.77 117.28 15.36 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.49 6.94 46.6 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.774 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.1 tt -88.61 147.23 5.35 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.13 98.06 11.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HA ' HD13 ' A' ' 38' ' ' LEU . 34.8 ttmt -60.14 -25.21 65.32 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.324 0.583 . . . . 0.0 112.149 -172.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -76.62 -24.16 53.37 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.982 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.34 -3.94 57.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.657 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.7 mp -80.72 -26.88 37.14 Favored 'General case' 0 CA--C 1.484 -1.574 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.379 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.13 75.04 10.38 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.636 1.208 . . . . 0.0 109.607 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.483 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.1 mt -74.62 -35.78 38.87 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.167 -174.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -80.49 -10.03 59.75 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.239 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.93 58.68 8.57 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.086 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -115.18 -15.17 11.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.118 0.459 . . . . 0.0 112.074 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.16 0.68 54.43 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.405 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.47 153.21 51.81 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -94.46 104.07 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.177 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -135.38 173.95 11.15 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.077 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 52' ' ' MET . . . -63.84 -15.64 58.22 Favored Glycine 0 N--CA 1.474 1.196 0 CA-C-N 116.608 -0.269 . . . . 0.0 113.374 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -64.36 -37.05 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -73.41 -38.13 65.68 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.183 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.49 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.6 tp -57.4 -46.75 83.13 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.922 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 81.8 mtp -65.45 -33.82 76.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 48.2 mm-40 -67.35 -40.09 85.8 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.7 tp -64.29 -45.45 87.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.811 0.339 . . . . 0.0 110.393 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.3 mt -58.59 -42.12 83.91 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.007 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 31.9 ttmt -55.05 -56.13 23.21 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.061 0.545 . . . . 0.0 110.265 173.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.5 mmmt -55.0 -55.9 25.73 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.922 0.889 . . . . 0.0 111.994 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 18' ' ' ILE . 53.2 t -73.73 -26.81 22.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.56 -174.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.7 m -82.57 -21.55 35.21 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.624 -0.831 . . . . 0.0 111.012 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -81.39 -36.11 29.94 Favored 'General case' 0 N--CA 1.427 -1.589 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -88.19 178.62 6.57 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.5 m -97.96 141.36 31.03 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.299 -1.618 0 CA-C-O 119.109 -0.472 . . . . 0.0 109.903 -178.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.021 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.5 m -156.26 129.64 8.18 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -81.69 77.93 8.48 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.002 0.906 . . . . 0.0 110.709 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.5 t -164.63 147.69 8.83 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -111.54 8.87 21.16 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.7 m -74.3 118.81 17.68 Favored 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 121.887 0.851 . . . . 0.0 111.03 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.526 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.2 tt -130.05 108.86 16.67 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.07 112.99 2.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.487 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.96 -17.43 17.46 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.526 ' HB3' HG23 ' A' ' 3' ' ' ILE . 15.7 t0 -118.68 88.8 3.0 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.014 1.388 . . . . 0.0 110.257 177.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.12 -35.73 41.73 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 112.718 -2.037 . . . . 0.0 112.467 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -90.31 -4.01 57.4 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.324 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 61.27 63.62 1.2 Allowed 'General case' 0 C--O 1.241 0.633 0 CA-C-O 122.576 1.179 . . . . 0.0 111.538 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -115.32 -8.98 12.25 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.553 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.38 -1.9 58.99 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-N 115.475 -0.784 . . . . 0.0 114.59 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 HD22 ' A' ' 14' ' ' ASN . 7.5 p -152.6 148.68 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.368 0 CA-C-N 118.161 0.98 . . . . 0.0 112.792 -174.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 57' ' ' LYS . 27.4 m -78.84 97.49 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 121.607 0.718 . . . . 0.0 111.153 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.402 HD22 HG13 ' A' ' 12' ' ' VAL . 10.5 p30 -126.42 -167.54 1.73 Allowed 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.64 -0.663 . . . . 0.0 111.37 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -70.57 -21.8 77.76 Favored Glycine 0 C--O 1.223 -0.563 0 CA-C-N 115.879 -0.6 . . . . 0.0 114.207 -175.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 22.2 mmt180 -64.96 -36.09 83.27 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 121.099 0.476 . . . . 0.0 110.013 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.418 ' OD2' ' HA ' ' A' ' 6' ' ' ASP . 15.4 m-20 -63.45 -43.74 96.53 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.741 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -50.27 -44.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 124.246 0.966 . . . . 0.0 110.967 173.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 22.3 t -62.57 -54.46 33.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.894 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -58.21 -39.61 79.48 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.057 0.943 . . . . 0.0 110.645 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.543 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.66 -56.27 20.88 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 125.316 1.446 . . . . 0.0 109.533 177.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -66.41 -31.24 71.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.148 -1.387 . . . . 0.0 112.481 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 88.4 mm-40 -59.43 -56.08 26.54 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.336 0.589 . . . . 0.0 109.974 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -67.57 -42.13 83.06 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.187 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.8 mt -55.65 -39.85 71.44 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.906 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.37 63.32 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 122.885 0.474 . . . . 0.0 111.07 178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.12 27.22 8.35 Favored Glycine 0 N--CA 1.42 -2.425 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.876 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -95.79 158.44 15.45 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -91.27 111.6 23.15 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.55 108.56 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -76.41 116.99 17.62 Favored 'General case' 0 C--N 1.282 -2.352 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.81 25.53 22.35 Favored Glycine 0 C--O 1.246 0.9 0 CA-C-N 116.033 -0.53 . . . . 0.0 113.427 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.9 tt -99.3 152.22 4.56 Favored 'Isoleucine or valine' 0 C--O 1.248 0.986 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -93.6 97.88 10.78 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 168.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HA ' HD13 ' A' ' 38' ' ' LEU . 38.2 ttmt -64.82 -15.13 61.36 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 123.639 0.776 . . . . 0.0 112.663 -170.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -85.13 -26.77 26.66 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.638 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.74 -2.72 37.64 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.846 0.459 . . . . 0.0 111.841 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 35' ' ' LYS . 7.8 mp -81.7 -23.09 37.01 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.808 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -87.06 72.53 10.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.733 1.254 . . . . 0.0 109.721 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.29 -35.08 38.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 113.439 -1.709 . . . . 0.0 111.774 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -81.11 -10.77 59.61 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.246 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.38 58.67 6.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 116.05 -0.523 . . . . 0.0 114.211 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -115.59 -12.59 11.58 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 117.489 0.645 . . . . 0.0 112.271 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.35 -6.74 53.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.428 -0.891 . . . . 0.0 113.489 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.73 162.49 32.2 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.761 0.315 . . . . 0.0 110.456 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -102.06 111.74 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.263 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -135.05 178.58 6.92 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 122.457 0.303 . . . . 0.0 110.634 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.85 -15.42 66.86 Favored Glycine 0 CA--C 1.506 -0.511 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.038 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 52.9 mtm180 -69.18 -32.97 72.63 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -73.31 -37.38 66.19 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.835 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD13 ' HG2' ' A' ' 21' ' ' MET . 26.7 tp -58.66 -45.44 89.34 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.851 175.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 88.6 mtp -70.74 -25.21 62.82 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.658 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 39.4 mm-40 -72.2 -40.09 68.13 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 172.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.55 -45.86 88.61 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.394 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.9 mt -60.19 -40.62 84.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.831 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.271 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.3 tttt -54.96 -46.8 75.07 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.237 1.015 . . . . 0.0 110.908 173.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mmmt -64.59 -52.85 55.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.341 0.657 . . . . 0.0 111.435 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 18' ' ' ILE . 49.2 t -72.98 -25.04 21.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -176.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -73.6 -29.45 62.39 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 176.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -76.44 -46.0 28.89 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.942 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -86.63 177.45 7.36 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.635 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 m -82.73 141.55 32.31 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 173.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.302 -1.496 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.519 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.972 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.7 m 69.05 120.29 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.931 1.293 . . . . 0.0 113.289 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 68.54 -76.78 0.05 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.677 1.591 . . . . 0.0 111.472 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 45.2 t -92.4 124.32 36.36 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -132.16 28.0 4.46 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.26 0.552 . . . . 0.0 110.043 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -72.41 114.68 10.8 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-O 122.049 0.928 . . . . 0.0 111.937 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.7 tt -124.08 106.16 16.52 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.669 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.8 mt -58.8 113.08 1.88 Allowed 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.54 -176.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.04 -17.7 17.01 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.491 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.528 ' HB3' HG23 ' A' ' 3' ' ' ILE . 24.5 t70 -121.81 87.37 2.74 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 122.952 1.358 . . . . 0.0 109.799 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.58 -34.08 47.16 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 112.955 -1.93 . . . . 0.0 112.439 -171.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.39 -4.0 57.33 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.45 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.401 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.8 t70 57.75 64.19 1.62 Allowed 'General case' 0 C--O 1.242 0.692 0 O-C-N 124.472 1.108 . . . . 0.0 112.2 178.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -122.68 8.56 9.48 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.413 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.85 10.19 81.5 Favored Glycine 0 CA--C 1.491 -1.414 0 CA-C-N 115.512 -0.767 . . . . 0.0 114.618 171.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -154.62 138.94 9.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.135 -175.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.5 98.76 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 CA-C-O 122.476 1.131 . . . . 0.0 109.599 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -125.45 177.11 6.37 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.766 -176.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -66.34 -19.15 68.24 Favored Glycine 0 C--O 1.225 -0.465 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.94 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 20' ' ' MET . 37.3 mmt180 -64.34 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -63.52 -42.18 98.47 Favored 'General case' 0 CA--C 1.491 -1.312 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.18 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.44 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -51.09 -43.28 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.175 0.99 . . . . 0.0 110.756 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 18.0 t -64.26 -52.14 59.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.296 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.8 mmm -57.53 -42.91 83.83 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 124.235 0.96 . . . . 0.0 110.176 -178.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.531 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -53.79 -58.2 8.1 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 125.664 1.585 . . . . 0.0 108.911 177.056 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.93 -31.54 71.87 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.895 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 25.6 mm-40 -63.72 -54.11 40.54 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.956 0.408 . . . . 0.0 110.24 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -67.7 -40.86 84.31 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.534 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -58.82 -32.89 69.78 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.53 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.81 -10.87 59.93 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.17 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.53 20.25 32.6 Favored Glycine 0 N--CA 1.426 -1.975 0 CA-C-N 116.44 -0.345 . . . . 0.0 112.831 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -90.84 157.77 17.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -93.83 112.65 24.54 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -95.95 117.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 p -76.33 117.83 18.41 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.843 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.18 21.85 Favored Glycine 0 N--CA 1.436 -1.338 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.8 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 tt -101.61 143.76 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.31 95.19 10.19 Favored 'General case' 0 CA--C 1.482 -1.666 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 172.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD13 ' A' ' 38' ' ' LEU . 14.0 tmtt? -56.12 -23.75 36.38 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.948 0.899 . . . . 0.0 113.269 -174.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.79 -23.66 41.98 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.301 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.71 -2.26 55.85 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.8 mp -78.72 -27.75 44.94 Favored 'General case' 0 CA--C 1.495 -1.149 0 O-C-N 123.745 0.653 . . . . 0.0 111.922 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -87.1 77.82 9.03 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 122.806 1.288 . . . . 0.0 109.793 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.6 mt -73.64 -34.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-N 112.953 -1.93 . . . . 0.0 112.225 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -83.43 -6.31 59.42 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.105 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.51 58.25 13.12 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.647 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -110.49 -15.21 13.96 Favored 'General case' 0 C--N 1.309 -1.153 0 O-C-N 122.363 -0.492 . . . . 0.0 111.196 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.01 4.34 48.07 Favored Glycine 0 N--CA 1.44 -1.096 0 C-N-CA 121.4 -0.428 . . . . 0.0 113.848 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.77 147.93 32.41 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 117.464 0.632 . . . . 0.0 111.126 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.45 104.34 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.678 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -136.63 177.53 7.78 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.025 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -20.33 66.69 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 116.153 -0.476 . . . . 0.0 113.127 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -59.12 -41.38 88.08 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -69.69 -39.32 77.02 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.994 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.531 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.3 tp -59.38 -45.49 91.3 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 124.173 0.921 . . . . 0.0 109.468 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 79.6 mtp -66.69 -33.54 75.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.628 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 25.7 mm-40 -67.86 -37.99 82.55 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.74 -43.92 87.51 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.583 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -59.16 -44.17 91.16 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.784 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.0 tttt -53.21 -43.53 67.29 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 124.8 1.24 . . . . 0.0 111.632 173.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.9 mmmt -68.16 -49.23 62.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 18' ' ' ILE . 44.6 t -83.83 -14.87 11.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-O 122.156 0.979 . . . . 0.0 112.687 -174.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.4 p -76.78 -32.47 57.7 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.102 -0.999 . . . . 0.0 108.417 170.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -72.65 -60.57 2.17 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.869 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -97.74 103.24 15.16 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 174.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 t -94.27 139.54 30.92 Favored 'General case' 0 C--N 1.273 -2.752 0 CA-C-O 121.725 0.774 . . . . 0.0 112.781 -168.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.419 -1.999 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.141 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.321 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 13.6 m -72.85 112.58 9.02 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 123.394 0.678 . . . . 0.0 110.574 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 49.9 70.25 0.52 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.551 1.14 . . . . 0.0 113.125 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 46.7 m -156.0 143.71 19.53 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -83.28 -92.56 0.07 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 174.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 m -127.11 114.85 18.28 Favored 'General case' 0 N--CA 1.402 -2.827 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.516 HG23 ' HB3' ' A' ' 6' ' ' ASP . 6.3 tt -100.93 101.9 12.72 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.397 0 CA-C-O 122.041 0.924 . . . . 0.0 109.887 -177.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.553 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 51.3 mt -64.73 112.72 3.35 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.718 -178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.0 -15.94 12.18 Favored Glycine 0 N--CA 1.426 -1.974 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.541 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 24.5 t70 -117.27 86.49 2.52 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 122.734 1.254 . . . . 0.0 109.671 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.44 -33.0 48.8 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.002 -1.908 . . . . 0.0 112.903 -171.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -92.06 3.15 55.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.208 0.527 . . . . 0.0 110.499 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.541 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.411 5.1 p-10 47.34 57.57 5.7 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 126.811 2.044 . . . . 0.0 114.616 179.236 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -110.37 0.59 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.198 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.17 59.0 Favored Glycine 0 CA--C 1.502 -0.733 0 N-CA-C 115.192 0.837 . . . . 0.0 115.192 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.33 138.82 6.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 117.947 0.873 . . . . 0.0 111.414 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.1 98.41 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-O 122.673 1.225 . . . . 0.0 110.377 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -125.16 177.4 6.13 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 114.626 -1.17 . . . . 0.0 113.198 -175.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -64.03 -24.81 68.93 Favored Glycine 0 N--CA 1.467 0.752 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.529 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.593 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.0 mmt180 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.787 0.835 . . . . 0.0 110.353 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -66.81 -40.93 88.22 Favored 'General case' 0 CA--C 1.488 -1.441 0 C-N-CA 122.804 0.442 . . . . 0.0 110.142 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.464 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -50.2 -47.42 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 124.354 1.034 . . . . 0.0 110.144 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.682 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 14.2 t -59.15 -54.71 30.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.677 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.8 mmm -57.1 -41.86 79.68 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 124.262 0.976 . . . . 0.0 110.771 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.551 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.5 tpt -56.02 -56.87 15.5 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.227 1.411 . . . . 0.0 109.41 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 69.0 mtp180 -68.54 -23.22 64.5 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 113.973 -1.467 . . . . 0.0 112.012 -173.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.2 mm-40 -67.53 -57.27 6.79 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.33 -41.2 98.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 21' ' ' MET . 89.3 mt -56.99 -36.91 70.91 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.475 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 -14.25 58.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.435 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.21 19.69 22.8 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 116.268 -0.424 . . . . 0.0 113.17 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.39 151.74 19.57 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 122.353 -0.498 . . . . 0.0 109.716 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.5 m -82.55 126.36 32.19 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 174.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -109.02 114.49 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.084 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -75.77 122.02 23.43 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.153 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.2 34.38 14.73 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.397 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.447 HD11 HD11 ' A' ' 38' ' ' LEU . 15.0 tt -107.99 144.4 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-O 121.028 0.442 . . . . 0.0 110.355 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -92.5 96.86 10.47 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.2 ttmt -60.16 -19.6 54.65 Favored 'General case' 0 CA--C 1.558 1.287 0 O-C-N 123.938 0.773 . . . . 0.0 112.458 -173.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -84.69 -21.76 30.04 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.252 0.621 . . . . 0.0 110.314 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.65 0.7 51.9 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.74 0.305 . . . . 0.0 111.641 -174.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.1 mp -80.8 -26.06 37.42 Favored 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.739 -179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.53 78.03 9.28 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.675 1.226 . . . . 0.0 109.351 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.553 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 47.4 mt -74.11 -37.44 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.545 -172.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -81.16 -11.71 59.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.186 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 58.87 5.56 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.523 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -112.95 -9.51 13.61 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 117.352 0.576 . . . . 0.0 110.762 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.3 -10.79 54.59 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.517 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.16 162.24 32.69 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 117.556 0.678 . . . . 0.0 111.671 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -97.97 105.94 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 49' ' ' ARG . 8.7 p30 -136.14 -178.31 5.09 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.629 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.78 -17.38 73.15 Favored Glycine 0 C--O 1.216 -0.98 0 CA-C-N 116.505 -0.316 . . . . 0.0 112.752 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' A' ' 47' ' ' ASN . 27.3 mmt180 -58.88 -41.83 88.03 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -69.18 -39.21 78.85 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.93 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.551 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.0 tp -61.09 -43.51 98.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.923 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.1 mtt -64.92 -37.81 88.89 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.774 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 60.8 mm-40 -66.41 -40.44 89.59 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 175.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 tp -61.56 -45.57 93.6 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.835 0.454 . . . . 0.0 110.207 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -57.08 -44.72 83.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.499 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 34.2 ttmt -54.24 -50.92 66.06 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.513 0.725 . . . . 0.0 111.028 174.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.7 mmmt -63.36 -55.49 24.08 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.097 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 18' ' ' ILE . 61.7 t -69.71 -33.1 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.356 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.648 -174.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 t -67.95 -35.81 79.02 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.284 0.564 . . . . 0.0 109.711 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -67.89 -43.36 79.5 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.451 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.06 -34.75 61.85 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.716 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.9 m 74.75 101.95 0.07 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.756 1.623 . . . . 0.0 111.581 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.425 -1.705 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 179.682 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.759 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.1 p -92.64 -5.8 50.71 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.064 0.459 . . . . 0.0 110.536 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.35 68.68 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 121.363 0.601 . . . . 0.0 110.528 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.9 t -102.58 168.59 9.18 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -90.47 75.73 6.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 122.527 1.156 . . . . 0.0 109.523 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.7 m -101.03 118.57 37.26 Favored 'General case' 0 C--N 1.269 -2.917 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.102 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.485 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.1 tt -123.47 109.45 23.37 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 48.3 mt -60.9 112.64 2.13 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.437 -176.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.68 -21.72 11.26 Favored Glycine 0 N--CA 1.42 -2.368 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.519 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 3' ' ' ILE . 20.7 t70 -113.66 89.44 3.09 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-O 122.88 1.324 . . . . 0.0 109.694 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.85 -36.54 42.19 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.857 -1.974 . . . . 0.0 112.263 -172.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -88.98 -7.03 56.77 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.031 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 25.2 t70 65.09 64.27 0.64 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 122.307 1.051 . . . . 0.0 111.658 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -120.77 -1.15 10.02 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.31 1.03 69.7 Favored Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.734 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -150.46 143.71 17.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 117.894 0.847 . . . . 0.0 112.097 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 m -70.48 96.72 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-O 121.97 0.89 . . . . 0.0 109.774 171.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -125.67 177.97 5.95 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.262 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -62.39 -22.39 63.36 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.521 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 20' ' ' MET . 20.0 mmt180 -63.89 -34.47 78.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.038 0.535 . . . . 0.0 110.928 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.99 -38.57 82.83 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.129 -178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.503 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.46 -43.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 124.157 0.911 . . . . 0.0 110.487 174.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 17.8 t -61.36 -53.06 53.87 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.321 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 77.3 mmm -58.68 -42.16 87.88 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.833 0.853 . . . . 0.0 110.471 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.528 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.1 tpt -55.25 -57.93 9.79 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.378 1.471 . . . . 0.0 108.481 177.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.64 -32.91 73.09 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.852 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.4 mm-40 -62.07 -58.55 7.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.242 0.544 . . . . 0.0 110.514 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.98 -43.62 92.02 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.879 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 21' ' ' MET . 90.8 mt -55.91 -33.94 65.12 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.601 0.76 . . . . 0.0 112.144 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.24 -14.32 59.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.06 10.92 29.12 Favored Glycine 0 N--CA 1.418 -2.555 0 C-N-CA 121.03 -0.605 . . . . 0.0 113.1 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -88.99 149.69 23.15 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -92.12 111.47 23.04 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 175.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 t -89.56 121.94 40.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.8 t -75.87 127.96 34.11 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 34.59 25.42 Favored Glycine 0 N--CA 1.432 -1.577 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.618 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -108.58 143.57 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.63 98.04 11.54 Favored 'General case' 0 CA--C 1.485 -1.555 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.7 ttmm -54.62 -31.48 57.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.831 0.852 . . . . 0.0 112.336 -173.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -79.69 -17.93 52.48 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.208 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.61 59.05 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.521 0.2 . . . . 0.0 111.031 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.2 mp -77.09 -26.92 53.93 Favored 'General case' 0 CA--C 1.483 -1.606 0 O-C-N 123.994 0.808 . . . . 0.0 111.303 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.36 76.1 8.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 122.922 1.344 . . . . 0.0 109.029 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 46.7 mt -74.15 -33.9 36.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-N 112.625 -2.08 . . . . 0.0 111.97 -172.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -82.96 -10.52 58.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.106 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.06 58.5 7.35 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.939 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -114.84 -11.54 12.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 117.534 0.667 . . . . 0.0 111.522 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.49 -3.48 57.85 Favored Glycine 0 N--CA 1.438 -1.202 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.387 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.92 150.51 52.04 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 122.296 -0.532 . . . . 0.0 110.383 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -93.35 101.42 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.857 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -135.92 177.78 7.56 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.535 -172.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.91 -17.2 67.24 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 116.628 -0.26 . . . . 0.0 113.067 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.83 -40.43 95.27 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -70.03 -38.67 75.94 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.854 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD13 ' HG2' ' A' ' 21' ' ' MET . 39.3 tp -59.18 -45.69 90.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.641 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.52 -28.08 68.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.079 0.466 . . . . 0.0 111.521 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.651 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 27.0 mm-40 -71.72 -45.44 61.79 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.208 174.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.32 -47.25 84.32 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 124.121 0.888 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 51' ' ' LEU . 75.6 mt -56.78 -41.38 75.2 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.531 0 O-C-N 123.819 0.699 . . . . 0.0 109.349 176.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -59.71 -43.97 93.91 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 111.755 0.279 . . . . 0.0 111.755 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.7 -49.58 61.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.443 0.697 . . . . 0.0 110.687 -177.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 18' ' ' ILE . 61.9 t -72.0 -31.43 40.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.061 -177.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -77.09 -13.85 59.89 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -84.69 -50.14 7.89 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -85.26 -92.34 0.09 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.069 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.5 m -164.38 146.1 8.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.432 -1.355 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.377 177.619 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.709 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 49.0 m -94.48 139.79 30.68 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -82.41 64.9 7.28 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.939 0.876 . . . . 0.0 109.887 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 36.5 m -161.81 141.92 10.32 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 125.683 1.593 . . . . 0.0 106.76 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -124.4 83.35 2.14 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.6 m -101.18 140.09 35.96 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.724 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.0 tt -122.3 101.66 10.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 121.54 0.686 . . . . 0.0 109.894 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 70.6 mt -62.57 114.12 3.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.583 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.84 -23.88 9.84 Favored Glycine 0 N--CA 1.427 -1.925 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.411 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -111.49 88.3 2.76 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 122.695 1.236 . . . . 0.0 109.917 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.61 -37.69 41.76 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 113.208 -1.814 . . . . 0.0 112.2 -172.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -85.26 -6.61 59.25 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.625 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.9 t70 60.76 63.39 1.32 Allowed 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.676 1.19 . . . . 0.0 111.736 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -118.63 -2.3 11.0 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.751 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.75 1.9 63.32 Favored Glycine 0 CA--C 1.505 -0.562 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.161 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.458 HG23 ' OD1' ' A' ' 61' ' ' ASN . 2.8 p -146.0 137.66 19.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 117.074 0.437 . . . . 0.0 111.141 -173.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 57' ' ' LYS . 11.5 m -78.14 96.59 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 121.963 0.887 . . . . 0.0 109.026 175.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.51 ' HB2' ' OXT' ' A' ' 63' ' ' SER . 37.0 p-10 -125.86 176.51 6.91 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.58 -172.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.52 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -61.16 -23.11 61.53 Favored Glycine 0 N--CA 1.478 1.434 0 CA-C-N 116.006 -0.543 . . . . 0.0 113.458 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 20' ' ' MET . 25.8 mmt180 -65.49 -31.81 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.746 0.418 . . . . 0.0 110.472 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -67.67 -37.73 82.78 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.317 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.52 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -54.0 -43.9 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.801 0.84 . . . . 0.0 110.376 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.617 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 15.0 t -59.46 -49.66 82.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.907 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 73.2 mmm -63.48 -40.72 97.86 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.055 0.847 . . . . 0.0 110.131 -177.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.547 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.05 -56.19 20.36 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.545 1.538 . . . . 0.0 108.641 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.79 -30.47 70.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.159 -1.382 . . . . 0.0 113.386 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.5 mm-40 -65.76 -54.8 22.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.962 0.411 . . . . 0.0 110.903 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -65.51 -41.32 93.29 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.019 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -56.95 -30.06 63.71 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.281 0.988 . . . . 0.0 111.732 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.65 -4.53 59.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.454 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.58 57.2 Favored Glycine 0 N--CA 1.427 -1.901 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.219 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -88.38 151.24 22.72 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.1 m -92.12 107.74 19.43 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -85.99 113.18 23.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 t -76.36 117.46 18.05 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.36 26.81 17.06 Favored Glycine 0 C--O 1.246 0.875 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.754 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' CD1' HD11 ' A' ' 38' ' ' LEU . 15.4 tt -107.54 149.43 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.289 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.29 100.19 12.82 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 172.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HA ' HD13 ' A' ' 38' ' ' LEU . 22.3 ttpt -61.79 -26.5 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -170.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -85.24 -11.14 55.54 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.957 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.21 -4.83 58.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.73 0.3 . . . . 0.0 111.115 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.7 mp -82.01 -29.48 32.01 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.446 -177.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.27 76.34 9.18 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 122.752 1.263 . . . . 0.0 109.346 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.451 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 43.8 mt -74.03 -33.3 35.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.893 -171.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.48 -11.35 54.49 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.783 -0.767 . . . . 0.0 110.077 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.2 59.05 7.79 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.883 -0.599 . . . . 0.0 113.764 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 p30 -114.36 -11.83 12.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 117.442 0.621 . . . . 0.0 111.345 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.24 -3.68 51.29 Favored Glycine 0 N--CA 1.433 -1.541 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.429 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.55 151.92 49.92 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 122.252 -0.558 . . . . 0.0 110.276 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.4 t -93.26 106.4 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.097 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -136.17 178.94 6.67 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.874 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.35 -18.74 67.81 Favored Glycine 0 C--O 1.221 -0.717 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.538 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -60.74 -37.44 81.79 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.77 -38.06 67.43 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.323 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD13 ' HG2' ' A' ' 21' ' ' MET . 43.1 tp -59.83 -43.36 94.62 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 123.973 0.795 . . . . 0.0 109.511 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.3 mtt -62.51 -40.58 97.2 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.734 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 44.4 mm-40 -65.34 -40.38 93.59 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.258 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.74 -46.62 88.85 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 51' ' ' LEU . 91.6 mt -55.6 -45.57 78.88 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.041 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 33.1 ttmt -53.78 -49.84 67.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.073 0.949 . . . . 0.0 111.254 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.1 mmmt -63.31 -55.53 23.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.696 0.799 . . . . 0.0 111.377 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 18' ' ' ILE . 89.6 t -65.97 -30.0 48.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 C-N-CA 124.322 1.049 . . . . 0.0 112.28 -176.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.0 t -70.3 -32.47 70.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.165 0.507 . . . . 0.0 110.313 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -80.84 -45.75 16.38 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 121.37 0.605 . . . . 0.0 110.572 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.458 ' OD1' HG23 ' A' ' 12' ' ' VAL . 2.4 t-20 -94.43 -163.79 1.09 Allowed 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.441 -173.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 m -78.57 108.68 12.14 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.069 0.547 . . . . 0.0 110.36 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.51 ' OXT' ' HB2' ' A' ' 14' ' ' ASN . 3.0 m . . . . . 0 C--O 1.255 1.344 0 O-C-N 123.874 0.734 . . . . 0.0 109.398 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.127 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.7 m 66.05 92.68 0.07 Allowed 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.819 1.248 . . . . 0.0 111.677 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -64.54 -41.56 96.27 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.4 t -93.29 106.52 18.47 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 171.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -61.73 -54.26 44.85 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.305 0.574 . . . . 0.0 109.595 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.0 m -107.53 116.47 32.0 Favored 'General case' 0 N--CA 1.395 -3.221 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.027 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' A' ' 6' ' ' ASP . 2.0 tt -125.03 106.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.32 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.918 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 51.8 mt -59.21 111.89 1.51 Allowed 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.137 -177.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.28 -22.7 8.84 Favored Glycine 0 N--CA 1.428 -1.893 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.178 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.475 ' HB3' HG23 ' A' ' 3' ' ' ILE . 22.8 t70 -114.9 87.77 2.72 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 123.032 1.396 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 17' ' ' ASP . 7.1 mp -78.95 -37.07 40.55 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.099 -173.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -87.13 -4.42 59.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.692 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.2 t70 63.71 63.15 0.87 Allowed 'General case' 0 C--O 1.244 0.785 0 CA-C-O 122.579 1.18 . . . . 0.0 111.578 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -122.59 -1.68 9.0 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.223 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.39 -1.59 73.0 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.384 -0.825 . . . . 0.0 115.042 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -146.82 144.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 117.678 0.739 . . . . 0.0 111.686 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -74.39 98.71 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-O 122.121 0.962 . . . . 0.0 110.584 175.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -125.99 174.38 8.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.773 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -60.77 -23.36 60.99 Favored Glycine 0 N--CA 1.471 0.998 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.52 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 20' ' ' MET . 41.4 mmt180 -63.86 -32.94 74.62 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.052 0.541 . . . . 0.0 110.264 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB3' HD13 ' A' ' 7' ' ' LEU . 59.9 m-20 -68.31 -39.39 82.02 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.507 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.7 mp -51.44 -43.87 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 124.301 1.001 . . . . 0.0 110.786 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 5.5 t -62.96 -50.74 78.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.381 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 76.4 mmm -58.89 -42.05 88.64 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.943 0.897 . . . . 0.0 110.362 -178.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.534 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -54.47 -57.48 11.16 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 125.545 1.538 . . . . 0.0 108.755 177.045 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -61.48 -36.13 79.61 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.866 -1.515 . . . . 0.0 112.627 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 12.1 mm-40 -58.98 -56.73 18.49 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.128 0.489 . . . . 0.0 110.305 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.84 -42.42 94.94 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.57 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.1 mt -56.28 -39.4 72.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.629 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.41 -25.11 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.936 0.398 . . . . 0.0 111.007 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.28 15.19 8.49 Favored Glycine 0 N--CA 1.426 -1.972 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.781 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -89.63 151.92 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.12 0.486 . . . . 0.0 110.375 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -92.13 108.91 20.29 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -95.24 111.39 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 t -76.48 117.11 17.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.5 6.94 Favored Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.6 tt -111.46 149.61 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -93.91 101.94 14.03 Favored 'General case' 0 CA--C 1.475 -1.938 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 168.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.4 ttpt -64.35 -15.58 60.63 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 123.789 0.68 . . . . 0.0 112.74 -172.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -89.16 -23.57 22.41 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.47 -7.07 57.03 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.306 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.0 mp -76.34 -29.62 57.33 Favored 'General case' 0 C--O 1.19 -2.066 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -86.52 76.26 9.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.732 1.253 . . . . 0.0 109.682 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.404 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 56.4 mt -74.39 -35.9 40.7 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-N 113.158 -1.837 . . . . 0.0 112.038 -173.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -81.16 -11.76 59.36 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.226 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.52 59.09 5.92 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.55 -0.75 . . . . 0.0 114.11 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.24 -10.84 12.68 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.726 0.763 . . . . 0.0 111.343 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.39 -10.41 56.41 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.034 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.12 156.41 44.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.109 0.481 . . . . 0.0 111.062 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.2 t -94.37 105.47 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.206 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -136.04 176.9 8.27 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.907 -174.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.11 -15.55 67.61 Favored Glycine 0 C--O 1.222 -0.608 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.733 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -64.66 -41.46 96.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 38' ' ' LEU . 46.6 m-20 -68.72 -37.76 79.7 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.366 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.534 HD13 ' HG2' ' A' ' 21' ' ' MET . 35.1 tp -58.99 -45.84 89.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.087 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.47 -36.02 82.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.672 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -66.64 -40.2 88.61 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 123.516 0.51 . . . . 0.0 110.789 175.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.12 -45.24 92.93 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 122.422 0.289 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 51' ' ' LEU . 90.3 mt -57.64 -44.57 85.69 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 66.7 tttt -55.06 -44.54 74.83 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.46 1.104 . . . . 0.0 111.679 174.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmmt -66.58 -55.63 14.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.257 0.551 . . . . 0.0 111.08 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 18' ' ' ILE . 58.8 t -69.78 -31.6 49.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.651 -175.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 t -72.21 -33.0 67.28 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -72.73 -43.31 63.11 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -67.44 -30.19 69.86 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.571 0.7 . . . . 0.0 110.213 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 m 79.83 -29.21 0.14 Allowed 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 126.872 2.069 . . . . 0.0 113.406 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.253 1.248 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.577 175.428 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.456 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 6.2 m -57.51 -25.68 60.2 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.778 1.631 . . . . 0.0 114.435 -173.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -80.22 -5.82 56.79 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.834 -0.541 . . . . 0.0 111.894 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.5 t -123.9 97.02 5.17 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -115.78 63.08 0.7 Allowed 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 m -126.23 130.5 51.05 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.258 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 6' ' ' ASP . 5.7 tt -117.35 102.92 14.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-O 121.369 0.604 . . . . 0.0 109.441 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.13 119.81 8.56 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.921 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.62 -17.77 25.38 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.514 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.7 t70 -116.41 85.48 2.31 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 122.989 1.376 . . . . 0.0 110.104 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.78 -36.18 43.31 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 112.749 -2.023 . . . . 0.0 112.252 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -85.93 -1.85 57.7 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.835 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 t70 58.72 62.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.723 1.264 . . . . 0.0 111.109 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -122.9 2.6 9.4 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.484 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.58 3.97 68.37 Favored Glycine 0 CA--C 1.508 -0.379 0 N-CA-C 115.244 0.858 . . . . 0.0 115.244 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 p -152.08 143.84 15.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 117.64 0.72 . . . . 0.0 111.601 -176.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.61 101.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-O 122.414 1.102 . . . . 0.0 110.327 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -125.34 176.64 6.64 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.443 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.506 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -67.48 -22.07 72.93 Favored Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.887 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 20' ' ' MET . 32.5 mmt180 -62.38 -31.22 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.648 0.779 . . . . 0.0 110.213 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.92 -40.26 75.67 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.506 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.5 mp -53.35 -43.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.191 0.996 . . . . 0.0 110.173 175.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.635 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -56.91 -53.63 40.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.549 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.2 mmm -59.32 -42.34 91.19 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.672 1.189 . . . . 0.0 110.426 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.555 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -53.24 -56.01 19.93 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 125.231 1.412 . . . . 0.0 109.365 177.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 81.8 mtp180 -67.45 -30.7 70.49 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.223 -1.353 . . . . 0.0 112.299 -174.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 9.3 mm-40 -61.52 -53.89 50.43 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.938 0.399 . . . . 0.0 110.056 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.86 -41.29 95.8 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.542 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 21' ' ' MET . 96.9 mt -57.13 -39.25 74.8 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.218 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.84 -22.75 60.74 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.141 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.14 22.89 7.98 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.501 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -95.51 156.32 16.37 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -87.44 115.61 24.98 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -91.07 117.83 35.1 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 p -75.29 120.35 20.65 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.761 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.05 46.19 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.737 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.501 ' CD1' HD11 ' A' ' 38' ' ' LEU . 15.3 tt -100.13 145.68 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -92.33 100.42 13.01 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 170.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 38' ' ' LEU . 34.1 ttmt -62.17 -16.76 55.11 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.33 0.652 . . . . 0.0 112.43 -172.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -84.76 -25.65 28.11 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.12 -5.44 57.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.116 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.3 mp -75.44 -31.17 60.23 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 124.03 0.831 . . . . 0.0 110.889 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.07 76.29 10.26 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 122.593 1.187 . . . . 0.0 110.261 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt -74.39 -35.66 39.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 113.572 -1.649 . . . . 0.0 112.172 -174.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -79.19 -11.36 59.96 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.873 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.44 58.17 8.22 Favored Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.327 -0.851 . . . . 0.0 115.121 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.03 -17.97 11.34 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 117.887 0.843 . . . . 0.0 110.022 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.35 -11.54 54.66 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.833 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.36 34.64 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 117.377 0.588 . . . . 0.0 109.584 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 107.89 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.122 0 CA-C-O 121.894 0.854 . . . . 0.0 108.723 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -135.5 172.78 12.52 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.488 -172.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.57 -17.66 64.84 Favored Glycine 0 C--O 1.216 -1.024 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.802 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -62.8 -39.23 93.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -68.88 -40.43 79.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.219 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.555 HD13 ' HG2' ' A' ' 21' ' ' MET . 37.1 tp -58.28 -45.69 87.42 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.908 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.9 -33.77 76.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.598 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 50.5 mm-40 -66.83 -40.28 87.92 Favored 'General case' 0 C--O 1.205 -1.238 0 O-C-N 123.245 0.341 . . . . 0.0 110.327 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.0 -43.99 90.72 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.146 0.579 . . . . 0.0 110.911 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 51' ' ' LEU . 93.5 mt -59.19 -40.17 80.44 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.299 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.118 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 61.9 tttt -61.32 -42.58 98.91 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 125.005 1.322 . . . . 0.0 111.274 175.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.3 mmmt -62.86 -50.96 68.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 110.448 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.613 ' HA ' ' O ' ' A' ' 61' ' ' ASN . 40.6 t -76.22 -16.7 15.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 122.151 0.977 . . . . 0.0 110.789 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.28 -32.59 70.45 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -84.52 -52.68 5.96 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.21 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.613 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.8 t30 -113.32 106.83 15.08 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 176.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.0 t -102.59 135.58 43.96 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 119.226 -0.989 . . . . 0.0 112.41 -175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.429 -1.476 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.976 175.444 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.374 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.1 m -83.94 -32.51 25.03 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 117.45 0.625 . . . . 0.0 112.425 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 61.59 31.26 18.81 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 122.327 1.061 . . . . 0.0 109.538 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.9 t -156.66 149.51 23.81 Favored 'General case' 0 N--CA 1.423 -1.812 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.4 70.39 10.64 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.908 0.861 . . . . 0.0 108.716 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.3 m -125.07 115.35 20.36 Favored 'General case' 0 N--CA 1.403 -2.785 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.588 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 6' ' ' ASP . 3.9 tt -116.03 107.66 23.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.93 -178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 63.4 mt -63.09 112.53 2.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.183 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.6 -24.11 7.71 Favored Glycine 0 N--CA 1.417 -2.598 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.528 ' HB3' HG23 ' A' ' 3' ' ' ILE . 3.1 t70 -113.27 93.14 4.27 Favored 'General case' 0 N--CA 1.413 -2.302 0 CA-C-O 122.435 1.112 . . . . 0.0 109.91 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 7.9 mp -78.68 -31.7 46.78 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 113.68 -1.6 . . . . 0.0 112.795 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -92.75 -5.7 50.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.448 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 57.28 62.52 2.16 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 123.084 1.421 . . . . 0.0 111.637 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -111.23 -15.36 13.66 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.354 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.04 10.97 55.7 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 115.059 0.784 . . . . 0.0 115.059 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -156.54 124.83 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.509 0 CA-C-O 121.436 0.636 . . . . 0.0 110.893 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.24 97.32 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 CA-C-O 121.373 0.606 . . . . 0.0 111.71 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -126.16 -168.04 1.8 Allowed 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.744 -0.598 . . . . 0.0 110.826 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.73 -24.53 72.76 Favored Glycine 0 C--O 1.224 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 114.289 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.629 ' O ' ' HG2' ' A' ' 20' ' ' MET . 39.0 mmt180 -63.41 -32.69 74.19 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-O 120.825 0.345 . . . . 0.0 111.046 178.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' OD1' ' HA ' ' A' ' 6' ' ' ASP . 14.9 m-20 -67.08 -43.12 83.38 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.248 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 58' ' ' VAL . 1.7 mp -52.13 -43.94 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.434 1.093 . . . . 0.0 110.707 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.658 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.0 t -60.73 -55.21 26.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.789 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.629 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 68.6 mmm -58.03 -40.42 80.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.946 0.898 . . . . 0.0 110.402 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.603 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.33 -56.84 14.48 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 109.089 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -67.47 -28.13 67.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.878 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 26.8 mm-40 -64.5 -52.54 57.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.27 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -65.63 -41.75 92.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.819 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 21' ' ' MET . 94.2 mt -60.57 -25.02 65.88 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.238 177.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.59 -9.06 53.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.145 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.87 24.46 35.22 Favored Glycine 0 N--CA 1.435 -1.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.285 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.03 153.54 18.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -84.68 115.29 22.59 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.99 117.68 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 t -75.84 126.5 31.12 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.112 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.17 34.08 64.66 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.89 -0.596 . . . . 0.0 113.244 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.404 HD11 HD11 ' A' ' 38' ' ' LEU . 15.9 tt -98.93 149.52 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.843 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -96.55 97.79 9.68 Favored 'General case' 0 N--CA 1.418 -2.049 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HA ' HD13 ' A' ' 38' ' ' LEU . 31.9 ttpt -58.39 -21.71 51.34 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 124.326 1.051 . . . . 0.0 112.226 -173.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.74 -21.01 28.45 Favored 'General case' 0 N--CA 1.437 -1.099 0 O-C-N 122.181 -0.324 . . . . 0.0 110.505 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.74 -3.91 58.2 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 120.875 0.369 . . . . 0.0 111.433 -174.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 35' ' ' LYS . 9.0 mp -77.6 -31.72 53.17 Favored 'General case' 0 CA--C 1.49 -1.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.834 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -83.93 77.84 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.788 1.28 . . . . 0.0 110.375 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 46.1 mt -74.66 -36.12 39.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 112.972 -1.922 . . . . 0.0 111.824 -174.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -81.43 -8.7 59.77 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.479 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.18 58.77 7.59 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.646 -0.706 . . . . 0.0 113.935 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -114.49 -13.29 12.21 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 117.566 0.683 . . . . 0.0 111.048 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.09 -10.74 57.03 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 116.031 -0.532 . . . . 0.0 113.001 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 155.92 39.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.6 t -98.28 105.22 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.952 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.13 178.84 6.74 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.122 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.97 69.53 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 116.65 -0.25 . . . . 0.0 112.841 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -59.64 -40.99 89.47 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 123.548 0.739 . . . . 0.0 109.07 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -71.18 -39.13 72.03 Favored 'General case' 0 CA--C 1.489 -1.369 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.7 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.603 HD13 ' HG2' ' A' ' 21' ' ' MET . 41.1 tp -59.22 -42.98 92.26 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 123.806 0.692 . . . . 0.0 109.992 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.3 mtt -65.54 -36.47 83.91 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.313 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 22.6 mm-40 -69.14 -35.6 76.55 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.12 -46.66 76.77 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 51' ' ' LEU . 86.0 mt -57.44 -41.64 79.07 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 63.9 tttt -54.35 -52.7 60.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.318 1.047 . . . . 0.0 111.137 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.4 mmmt -60.95 -54.74 41.34 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.377 0.608 . . . . 0.0 111.308 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 18' ' ' ILE . 88.5 t -69.22 -30.12 45.01 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 C-N-CA 124.114 0.965 . . . . 0.0 113.221 -174.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 m -79.01 -28.55 43.37 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.992 177.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -73.9 -46.38 44.93 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -76.91 158.34 30.77 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.349 -0.842 . . . . 0.0 108.973 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.3 m -78.12 100.55 6.61 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.193 0.52 . . . . 0.0 110.378 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.295 -1.763 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.533 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.716 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 48.8 m -119.05 118.33 31.15 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 117.169 0.485 . . . . 0.0 110.715 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -95.96 41.03 1.11 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.5 p -72.2 126.24 29.3 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.815 -174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -90.67 72.01 6.75 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.2 m -95.95 118.94 33.55 Favored 'General case' 0 N--CA 1.41 -2.467 0 CA-C-N 113.298 -1.773 . . . . 0.0 109.555 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 6' ' ' ASP . 4.5 tt -116.93 103.15 14.59 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.233 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.19 112.96 1.91 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.663 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.03 -21.55 12.11 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.721 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 3' ' ' ILE . 19.8 t70 -115.76 89.69 3.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 122.725 1.25 . . . . 0.0 109.157 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.68 -37.06 42.67 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 113.064 -1.88 . . . . 0.0 112.015 -172.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -88.71 -3.34 58.8 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.586 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.7 t70 60.13 64.3 1.27 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 124.398 1.061 . . . . 0.0 111.534 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -120.26 -0.18 10.5 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 4.56 66.01 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 114.544 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 p -153.2 141.06 13.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 117.407 0.603 . . . . 0.0 111.816 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.33 99.98 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-O 121.642 0.734 . . . . 0.0 109.284 172.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.608 ' HA ' ' O ' ' A' ' 62' ' ' THR . 27.2 p30 -125.82 179.6 5.11 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.168 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -65.1 -22.97 69.36 Favored Glycine 0 CA--C 1.523 0.551 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.102 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.3 mmt180 -63.32 -32.08 73.4 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.146 0.578 . . . . 0.0 110.014 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -66.84 -39.87 87.78 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.607 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.55 -43.13 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.331 1.052 . . . . 0.0 110.293 175.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.669 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 29.4 t -59.63 -54.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.708 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 71.4 mmm -60.58 -40.65 92.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.121 0.968 . . . . 0.0 110.597 -176.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.593 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.3 tpt -54.8 -56.52 18.46 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 125.208 1.403 . . . . 0.0 108.997 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.64 -29.0 70.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.451 -1.249 . . . . 0.0 113.029 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 82.0 mm-40 -64.77 -57.36 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.03 -40.44 96.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.229 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.92 -29.22 68.22 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.822 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.32 -3.65 58.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.08 23.88 50.4 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.813 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -90.18 156.61 18.21 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.1 m -90.69 113.36 25.42 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 t -100.86 115.9 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.148 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -173.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -75.27 128.7 36.02 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.67 32.5 41.21 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.805 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 38' ' ' LEU . 15.3 tt -105.61 143.76 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.415 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -91.58 98.49 11.69 Favored 'General case' 0 CA--C 1.481 -1.673 0 N-CA-C 103.608 -2.738 . . . . 0.0 103.608 169.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' HD13 ' A' ' 38' ' ' LEU . 36.6 ttmt -61.94 -17.01 55.39 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 123.883 0.873 . . . . 0.0 112.385 -172.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.34 -25.7 22.61 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.89 -5.61 46.87 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.101 0.56 . . . . 0.0 111.717 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 33' ' ' ILE . 8.5 mp -78.85 -20.0 50.64 Favored 'General case' 0 CA--C 1.478 -1.814 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -92.0 74.38 5.57 Favored 'General case' 0 N--CA 1.417 -2.119 0 CA-C-O 122.725 1.25 . . . . 0.0 109.641 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mt -74.25 -34.3 36.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 CA-C-N 112.996 -1.911 . . . . 0.0 111.255 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -81.26 -8.91 59.83 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.65 54.99 32.49 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-N 115.532 -0.758 . . . . 0.0 113.849 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -114.72 -19.43 11.06 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.149 0.474 . . . . 0.0 111.613 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.77 5.37 47.9 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 120.637 -0.792 . . . . 0.0 114.05 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.81 132.72 21.31 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 117.388 0.594 . . . . 0.0 109.771 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.59 109.77 16.92 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -135.86 -179.48 5.68 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.991 -174.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.91 -14.84 61.63 Favored Glycine 0 C--O 1.225 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.637 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 34.1 mtm180 -71.15 -32.19 68.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.98 -37.99 64.29 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.593 HD13 ' HG2' ' A' ' 21' ' ' MET . 33.8 tp -58.33 -44.96 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.207 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.51 -39.04 86.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.021 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 38.2 mm-40 -64.25 -43.73 93.98 Favored 'General case' 0 C--O 1.208 -1.105 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.084 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.04 -47.08 88.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.038 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' LEU . 84.3 mt -56.63 -41.3 73.54 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 20.0 ttmm -58.98 -50.1 75.38 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.27 0.628 . . . . 0.0 111.372 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 30.9 mmmt -61.18 -52.55 64.37 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.646 0.736 . . . . 0.0 110.261 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 62' ' ' THR . 63.6 t -68.71 -39.38 80.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 CA-C-N 114.811 -1.086 . . . . 0.0 113.436 -175.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.3 m -75.47 -14.81 60.45 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.242 0.544 . . . . 0.0 111.495 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -97.92 -32.04 11.88 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.756 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -107.61 -71.15 0.77 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -173.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.608 ' O ' ' HA ' ' A' ' 14' ' ' ASN . 86.0 m -148.87 131.61 15.99 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 118.802 0.728 . . . . 0.0 111.429 -176.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.434 -1.25 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 176.524 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.193 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.0 p -91.19 -18.35 24.59 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -83.64 105.57 14.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.779 0.323 . . . . 0.0 110.373 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 37.2 m -83.05 67.9 9.31 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.976 0.893 . . . . 0.0 110.652 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -153.4 17.6 0.54 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.3 m -124.71 128.75 49.27 Favored 'General case' 0 N--CA 1.419 -1.985 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.869 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tt -105.16 101.91 13.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-O 121.627 0.727 . . . . 0.0 110.133 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 58.9 mt -64.94 124.06 21.05 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.457 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.66 -16.12 37.42 Favored Glycine 0 N--CA 1.431 -1.663 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.705 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.427 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 25.0 t70 -117.88 87.1 2.65 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 122.794 1.283 . . . . 0.0 110.321 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.82 -34.04 45.61 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 112.976 -1.92 . . . . 0.0 113.075 -172.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.59 9.83 40.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.729 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.297 4.0 p-10 47.52 60.6 3.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 126.327 1.851 . . . . 0.0 113.515 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -117.72 6.26 12.36 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.373 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.3 78.39 Favored Glycine 0 CA--C 1.493 -1.317 0 N-CA-C 115.517 0.967 . . . . 0.0 115.517 170.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.31 150.28 10.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 117.561 0.68 . . . . 0.0 110.755 -175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' C ' HG22 ' A' ' 58' ' ' VAL . 17.0 m -78.98 99.35 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 122.118 0.961 . . . . 0.0 110.157 174.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -125.65 177.65 6.12 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.581 -177.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' HB ' ' A' ' 18' ' ' ILE . . . -62.58 -23.7 65.27 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-O 121.188 0.327 . . . . 0.0 113.223 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 20' ' ' MET . 26.7 mmt180 -63.12 -31.91 73.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 123.543 0.737 . . . . 0.0 111.537 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -68.39 -39.14 81.8 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.493 ' HB ' ' O ' ' A' ' 15' ' ' GLY . 1.6 mp -53.07 -43.74 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 110.267 175.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.651 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 21.2 t -59.66 -55.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.299 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 72.3 mmm -57.9 -41.65 83.07 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 124.177 0.923 . . . . 0.0 110.552 -177.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -55.15 -57.45 11.71 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.34 1.456 . . . . 0.0 109.267 178.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.47 -35.48 74.17 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.718 -177.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 10.3 mm-40 -60.63 -58.43 8.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.827 0.704 . . . . 0.0 110.428 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.06 -41.14 95.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.011 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -57.03 -33.31 67.06 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.297 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.33 -14.55 55.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.61 15.97 25.63 Favored Glycine 0 N--CA 1.431 -1.645 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.958 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -88.6 149.79 23.38 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.132 0.491 . . . . 0.0 109.838 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 m -88.63 106.84 18.58 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.87 110.65 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -174.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 121.37 22.27 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 34.24 18.34 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CD1' HD11 ' A' ' 38' ' ' LEU . 17.9 tt -106.74 146.83 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.02 96.51 10.4 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 171.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HA ' HD13 ' A' ' 38' ' ' LEU . 23.0 ttpp -61.6 -21.02 63.98 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.711 0.632 . . . . 0.0 112.452 -170.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -77.31 -29.45 53.64 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.123 0.569 . . . . 0.0 109.921 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.34 -4.51 48.43 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 35' ' ' LYS . 8.1 mp -79.27 -25.95 42.42 Favored 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.59 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -87.22 77.08 9.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 122.879 1.323 . . . . 0.0 109.519 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.435 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 52.0 mt -73.93 -36.45 45.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 112.974 -1.921 . . . . 0.0 111.994 -172.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.64 -10.12 59.49 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.332 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.4 59.03 6.01 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.815 -0.63 . . . . 0.0 114.403 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -114.74 -12.71 12.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.467 0.634 . . . . 0.0 111.555 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 -9.71 55.11 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.416 -0.421 . . . . 0.0 113.424 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.5 152.15 50.97 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.027 0.441 . . . . 0.0 110.666 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.03 106.7 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.254 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -135.5 174.72 10.3 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.685 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.58 -15.89 64.69 Favored Glycine 0 C--O 1.221 -0.675 0 C-N-CA 121.618 -0.325 . . . . 0.0 113.33 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 49' ' ' ARG . 2.6 mmp_? -63.49 -39.8 95.4 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -67.67 -39.16 84.52 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.543 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.541 HD13 ' HG2' ' A' ' 21' ' ' MET . 31.1 tp -59.76 -45.64 91.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.932 176.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.0 mtt -67.6 -27.76 67.18 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.554 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 31.5 mm-40 -69.02 -48.1 63.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.44 -47.64 81.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.041 0.936 . . . . 0.0 112.013 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 51' ' ' LEU . 57.2 mt -54.83 -45.39 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 32.4 ttpt -57.21 -50.54 72.54 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.47 0.481 . . . . 0.0 111.199 175.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -57.69 -55.78 30.38 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 123.899 0.749 . . . . 0.0 109.849 -177.441 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.414 HG21 ' CD1' ' A' ' 18' ' ' ILE . 92.4 t -67.25 -38.69 81.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.258 -174.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.3 m -71.94 -30.89 65.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.19 0.519 . . . . 0.0 110.912 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -79.37 -33.23 43.08 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.009 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -77.91 -94.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.2 m -170.57 141.94 1.97 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.919 0.887 . . . . 0.0 110.002 -175.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.314 -0.955 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 169.44 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.11 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.8 t -75.73 134.92 40.37 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 69.9 -64.42 0.35 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.867 1.667 . . . . 0.0 110.907 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.9 m -155.43 -64.42 0.12 Allowed 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 175.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 45.89 60.18 3.3 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 125.3 1.44 . . . . 0.0 112.027 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.438 HG21 ' HB2' ' A' ' 36' ' ' ASN . 88.6 m -124.59 126.79 46.37 Favored 'General case' 0 N--CA 1.405 -2.721 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.435 HG23 ' HB3' ' A' ' 6' ' ' ASP . 8.7 tt -92.36 100.4 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.021 0 CA-C-O 122.188 0.995 . . . . 0.0 109.602 -176.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 40' ' ' ILE . 55.6 mt -66.32 110.67 3.15 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 114.265 -1.334 . . . . 0.0 110.575 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.13 -15.86 10.88 Favored Glycine 0 N--CA 1.425 -2.039 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' A' ' 9' ' ' ASP . 16.5 t70 -117.07 86.67 2.55 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 123.023 1.392 . . . . 0.0 109.958 177.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.426 HD21 ' HE3' ' A' ' 21' ' ' MET . 7.3 mp -78.54 -33.74 47.63 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 112.754 -2.021 . . . . 0.0 112.513 -172.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.37 8.27 41.13 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.473 ' HA ' ' OD2' ' A' ' 6' ' ' ASP 0.358 6.5 p-10 45.59 62.07 2.35 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.625 1.97 . . . . 0.0 114.156 177.522 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -111.69 -4.81 14.58 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.075 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.25 3.79 58.68 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.523 -0.762 . . . . 0.0 114.304 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -151.17 144.88 16.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 117.536 0.668 . . . . 0.0 111.183 -176.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -75.81 100.08 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 62' ' ' THR . 36.0 p-10 -126.74 177.7 6.39 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.83 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' HA2' HD13 ' A' ' 18' ' ' ILE . . . -63.62 -23.17 66.75 Favored Glycine 0 N--CA 1.471 0.983 0 CA-C-N 116.393 -0.367 . . . . 0.0 113.698 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 20' ' ' MET . 30.8 mmt180 -65.18 -30.41 71.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.444 0.298 . . . . 0.0 110.509 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.88 -39.06 83.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.493 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.6 mp -52.45 -45.3 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 110.376 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.645 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 16.8 t -60.06 -52.17 64.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.59 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 74.3 mmm -60.4 -40.56 91.37 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.816 0.846 . . . . 0.0 110.415 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.493 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -56.37 -56.59 19.28 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 125.071 1.348 . . . . 0.0 108.638 176.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.52 -32.27 72.31 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.37 -178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 19' ' ' VAL . 8.8 mm-40 -62.89 -55.57 24.91 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 178.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -65.41 -40.95 94.03 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 -177.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.72 -27.68 65.11 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.674 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.79 -4.2 59.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.08 0.467 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.25 17.61 62.3 Favored Glycine 0 N--CA 1.432 -1.58 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.914 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -85.4 150.85 24.44 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.2 m -86.31 107.61 18.05 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.03 112.9 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -173.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -76.86 116.97 18.01 Favored 'General case' 0 N--CA 1.426 -1.642 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.141 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.94 34.13 7.42 Favored Glycine 0 N--CA 1.431 -1.661 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.568 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 38' ' ' LEU . 16.4 tt -110.98 145.48 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -90.73 99.23 12.3 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.446 -2.428 . . . . 0.0 104.446 172.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HA ' HD13 ' A' ' 38' ' ' LEU . 15.2 ttmm -58.9 -25.71 63.64 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.641 0.776 . . . . 0.0 111.804 -171.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.438 ' HB2' HG21 ' A' ' 2' ' ' THR . 16.1 m-80 -75.96 -29.67 58.35 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.104 -176.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.37 -4.08 43.4 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -172.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 33' ' ' ILE . 8.6 mp -79.65 -27.24 40.89 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.329 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -89.04 77.89 7.55 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 122.443 1.116 . . . . 0.0 108.709 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.54 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 41.9 mt -74.06 -35.67 42.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 113.112 -1.858 . . . . 0.0 112.33 -171.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -84.92 -8.65 58.67 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.61 57.66 8.74 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 115.607 -0.724 . . . . 0.0 114.25 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 p30 -115.28 -7.89 12.34 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 117.948 0.874 . . . . 0.0 112.115 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.33 60.78 Favored Glycine 0 N--CA 1.44 -1.042 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.252 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.72 148.14 52.33 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.07 103.19 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.224 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -134.89 177.56 7.71 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.947 -172.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.78 -18.76 62.22 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.2 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.1 mtt180 -63.52 -38.26 90.46 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 176.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -72.01 -36.3 69.67 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.367 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 55' ' ' ILE . 44.5 tp -61.41 -46.08 91.61 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.246 177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.95 -33.38 75.89 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 19.4 mm-40 -64.18 -49.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.99 -47.9 81.62 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.215 1.006 . . . . 0.0 111.506 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -54.42 -46.73 70.5 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.14 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HZ3' ' HA ' ' A' ' 53' ' ' GLU . 4.4 ttpm? -59.58 -41.08 89.4 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.629 0.772 . . . . 0.0 112.722 177.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 29.3 mmmt -67.47 -52.88 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 0.0 109.704 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 62' ' ' THR . 75.6 t -69.22 -35.94 70.36 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 C-N-CA 124.871 1.268 . . . . 0.0 113.685 -175.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.5 p -68.07 -33.88 75.38 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.514 0.673 . . . . 0.0 110.216 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -78.38 -48.58 15.22 Favored 'General case' 0 N--CA 1.424 -1.744 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.313 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -94.91 -89.16 0.24 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -174.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.496 ' O ' HG13 ' A' ' 58' ' ' VAL . 37.7 m -128.24 142.38 51.18 Favored 'General case' 0 C--O 1.202 -1.436 0 O-C-N 122.118 -0.364 . . . . 0.0 110.507 -170.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.494 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_