data_2kap_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kap _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.57 -61.45 2.49 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.873 0.869 . . . . 0.0 112.097 167.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.1 m -53.94 -42.11 68.5 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.558 1.072 . . . . 0.0 113.649 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.84 -44.64 76.71 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.308 0.643 . . . . 0.0 112.279 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -66.64 -40.19 88.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.413 0.685 . . . . 0.0 111.507 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.55 -42.05 91.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.129 1.372 . . . . 0.0 111.837 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.62 82.87 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.059 -1.026 . . . . 0.0 112.214 169.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.04 77.69 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -70.02 -24.77 63.33 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.642 1.11 . . . . 0.0 112.8 171.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.55 29.74 4.61 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.464 1.031 . . . . 0.0 113.86 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -115.08 62.65 1.51 Allowed Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 128.353 2.661 . . . . 0.0 111.324 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -62.67 -27.01 75.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.26 1.973 . . . . 0.0 112.354 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -52.97 -43.23 66.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.43 1.492 . . . . 0.0 113.121 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -79.45 -29.03 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.124 -0.985 . . . . 0.0 112.12 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.16 88.58 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.463 -0.773 . . . . 0.0 111.388 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.99 -35.14 77.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 112.127 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.01 -29.89 63.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.239 1.016 . . . . 0.0 112.88 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.91 -38.21 78.39 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.219 0.918 . . . . 0.0 112.706 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -68.29 -16.08 63.82 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.345 -0.847 . . . . 0.0 112.132 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -92.75 34.45 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.721 2.008 . . . . 0.0 111.019 174.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -59.0 4.6 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.225 1.81 . . . . 0.0 115.207 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -22.15 65.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.363 -1.461 . . . . 0.0 113.094 175.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -149.23 147.45 23.61 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.344 1.458 . . . . 0.0 112.201 171.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -79.4 152.04 23.22 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.187 2.592 . . . . 0.0 110.609 169.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.47 161.26 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 121.643 0.735 . . . . 0.0 112.738 -174.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -70.93 87.83 0.74 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.717 0.807 . . . . 0.0 110.551 168.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.6 mm -48.07 -42.5 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.798 1.239 . . . . 0.0 111.159 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 t -61.49 -35.09 76.7 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.43 -44.68 74.45 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.197 -0.939 . . . . 0.0 110.461 172.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.95 -41.48 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.242 0.617 . . . . 0.0 111.581 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -58.9 -24.65 62.58 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.867 1.667 . . . . 0.0 114.575 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -36.22 41.79 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.542 1.519 . . . . 0.0 112.866 168.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.44 -26.0 67.0 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.75 31.5 4.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.876 1.27 . . . . 0.0 112.893 177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.05 -11.62 2.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -60.84 -28.63 68.96 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.914 1.686 . . . . 0.0 114.47 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.92 160.76 14.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.373 1.069 . . . . 0.0 113.54 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.23 155.95 39.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.827 0.851 . . . . 0.0 112.62 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -58.07 -14.85 7.47 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -47.05 88.25 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.808 1.185 . . . . 0.0 113.248 167.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.05 -25.83 39.97 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.06 -46.77 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.517 163.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.81 -44.36 90.81 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 121.059 1.754 . . . . 0.0 112.531 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.23 66.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.689 0.677 . . . . 0.0 111.799 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.87 -47.34 86.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.539 0.736 . . . . 0.0 112.121 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.6 m -57.0 -45.51 82.98 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 125.032 1.333 . . . . 0.0 111.469 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -46.31 84.93 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 121.09 1.768 . . . . 0.0 111.81 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -69.02 -47.53 65.21 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.22 -30.41 69.47 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 112.725 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.31 -29.36 64.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.116 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.2 m -60.92 -42.26 97.74 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.587 1.994 . . . . 0.0 111.297 166.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -46.82 81.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.755 0.822 . . . . 0.0 111.857 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.77 -42.45 99.7 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.564 0.746 . . . . 0.0 112.62 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -40.26 75.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.954 1.701 . . . . 0.0 111.358 175.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.57 -37.21 71.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.435 0.694 . . . . 0.0 111.612 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.58 84.34 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.598 1.159 . . . . 0.0 113.793 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.3 m -132.52 52.99 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.73 1.612 . . . . 0.0 112.068 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.33 62.78 0.06 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.885 2.074 . . . . 0.0 114.85 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mttt . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.062 1.745 . . . . 0.0 113.141 171.607 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.42 -57.99 10.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.956 0.903 . . . . 0.0 111.742 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -54.23 -39.9 67.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 112.474 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.49 -49.22 77.65 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.696 1.134 . . . . 0.0 111.976 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -64.7 -45.66 85.66 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.945 -0.472 . . . . 0.0 111.959 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.97 -39.99 91.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.955 1.302 . . . . 0.0 112.379 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -40.08 92.47 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.574 -1.328 . . . . 0.0 111.48 173.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.05 76.15 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 p -72.31 -14.04 61.65 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.261 1.024 . . . . 0.0 113.353 173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.55 26.96 12.27 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.783 1.183 . . . . 0.0 113.95 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -112.57 67.67 0.95 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.279 2.232 . . . . 0.0 111.671 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.45 -29.5 71.45 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.812 2.341 . . . . 0.0 112.015 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -51.85 -45.86 64.18 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.329 1.452 . . . . 0.0 113.544 170.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -79.36 -38.88 33.97 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.515 -0.741 . . . . 0.0 111.099 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.7 76.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.791 0.836 . . . . 0.0 112.141 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -72.78 -36.1 67.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.955 1.302 . . . . 0.0 112.895 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -37.8 62.4 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.199 0.909 . . . . 0.0 111.68 172.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -38.82 64.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 174.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -19.88 64.91 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.981 178.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.8 34.93 1.05 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.3 2.24 . . . . 0.0 111.854 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -56.27 0.06 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.094 1.758 . . . . 0.0 115.102 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.95 -24.85 59.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.299 1.839 . . . . 0.0 112.801 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -144.8 146.12 30.42 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 111.649 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -78.96 152.72 24.93 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.136 2.558 . . . . 0.0 111.869 168.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.71 165.7 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.746 1.218 . . . . 0.0 111.786 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.94 101.19 13.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.666 -0.646 . . . . 0.0 110.604 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -54.56 -39.54 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.98 0.912 . . . . 0.0 110.524 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -56.53 -34.0 66.61 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.284 1.034 . . . . 0.0 113.395 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -41.05 63.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.795 0.838 . . . . 0.0 111.339 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.82 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 112.326 172.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -25.19 64.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 113.319 171.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -86.75 -44.63 11.63 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.556 1.071 . . . . 0.0 111.98 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -61.35 -37.3 82.83 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.477 0.711 . . . . 0.0 112.117 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -114.83 46.73 1.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.674 1.59 . . . . 0.0 109.92 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -71.62 -10.69 60.15 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -71.67 -23.09 61.6 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.634 1.574 . . . . 0.0 114.736 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -173.22 3.84 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.34 1.856 . . . . 0.0 112.759 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.23 159.4 15.58 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.175 -0.953 . . . . 0.0 112.724 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.27 -23.6 37.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.54 -46.51 88.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.831 0.852 . . . . 0.0 112.843 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.77 72.12 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 117.342 -1.314 . . . . 0.0 110.506 172.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.7 mm -56.88 -32.64 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.541 1.519 . . . . 0.0 113.345 173.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.02 -49.56 75.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 122.003 2.183 . . . . 0.0 111.682 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.73 80.22 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.462 -0.774 . . . . 0.0 112.57 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tp -64.73 -50.72 65.77 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 125.71 1.604 . . . . 0.0 111.156 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.04 -45.76 86.45 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.247 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.82 -49.39 77.91 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.084 1.766 . . . . 0.0 112.205 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 mmt-85 -66.87 -50.25 63.07 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.756 0.822 . . . . 0.0 111.832 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.81 -31.06 71.44 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.977 -1.077 . . . . 0.0 113.126 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.28 -39.57 92.77 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 120.577 -1.327 . . . . 0.0 110.987 167.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -57.46 -36.87 71.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.766 1.166 . . . . 0.0 111.978 170.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -44.09 86.15 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.837 0.744 . . . . 0.0 111.668 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.11 -44.16 96.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.214 0.605 . . . . 0.0 112.241 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -41.86 96.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.212 1.405 . . . . 0.0 111.572 175.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.15 -34.93 75.75 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.016 0.825 . . . . 0.0 111.826 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.29 93.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.531 1.132 . . . . 0.0 113.681 172.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.26 54.78 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.151 1.38 . . . . 0.0 112.068 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -71.94 61.64 0.42 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.707 2.003 . . . . 0.0 113.89 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.634 1.573 . . . . 0.0 113.626 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 N--CA 1.485 1.277 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -57.01 14.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.969 -0.457 . . . . 0.0 111.312 172.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.53 -40.89 62.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.081 0.952 . . . . 0.0 112.674 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -62.53 -49.36 75.64 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.681 1.128 . . . . 0.0 112.083 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -67.02 -43.01 83.95 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.804 -0.56 . . . . 0.0 111.836 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.29 -39.31 92.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 112.342 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.76 98.08 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.513 -1.367 . . . . 0.0 111.131 171.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.81 80.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -72.57 -13.02 61.3 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.534 1.133 . . . . 0.0 113.079 173.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.02 26.43 16.45 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.076 1.322 . . . . 0.0 114.143 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -114.18 63.5 1.24 Allowed Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 127.328 2.251 . . . . 0.0 112.852 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -64.81 -25.36 60.65 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.916 2.411 . . . . 0.0 112.729 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -57.48 -31.23 65.77 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -85.1 -31.28 23.43 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.221 -0.925 . . . . 0.0 111.462 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.17 93.17 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.147 -0.97 . . . . 0.0 111.438 166.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.2 -35.96 82.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.835 0.854 . . . . 0.0 112.748 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -35.25 69.66 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.645 1.111 . . . . 0.0 112.164 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -40.03 93.37 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.391 0.615 . . . . 0.0 112.438 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.28 -15.32 59.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.008 0.923 . . . . 0.0 112.319 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.72 35.81 1.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.787 2.035 . . . . 0.0 111.837 175.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -52.36 -3.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.248 2.219 . . . . 0.0 115.596 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.61 -28.39 67.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.704 2.001 . . . . 0.0 112.727 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.11 151.49 34.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.041 1.337 . . . . 0.0 112.274 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -77.83 141.03 18.89 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.234 2.623 . . . . 0.0 111.005 170.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.14 169.51 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-O 121.669 0.747 . . . . 0.0 111.917 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -87.36 98.76 11.53 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.614 -0.679 . . . . 0.0 110.174 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.0 mm -53.97 -36.04 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.483 -0.761 . . . . 0.0 110.545 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -52.74 -46.08 67.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.677 0.791 . . . . 0.0 112.126 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.91 -40.85 83.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.468 0.707 . . . . 0.0 111.357 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -47.48 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.057 0.844 . . . . 0.0 111.194 174.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -35.93 81.12 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.276 1.83 . . . . 0.0 112.54 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -71.99 -43.83 64.49 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.393 0.997 . . . . 0.0 112.808 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.89 -32.73 71.22 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.597 0.759 . . . . 0.0 111.934 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -109.33 33.55 4.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 111.517 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -6.76 10.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.882 -1.136 . . . . 0.0 113.144 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -62.65 -17.04 59.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.864 1.266 . . . . 0.0 113.943 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -115.06 159.45 20.82 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.978 1.711 . . . . 0.0 111.751 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.6 161.6 30.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.598 0.759 . . . . 0.0 112.627 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 mpp_? -61.13 -27.2 68.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.062 -0.971 . . . . 0.0 113.563 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -33.23 74.97 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.319 1.418 . . . . 0.0 113.895 171.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.69 -47.58 53.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.15 0.886 . . . . 0.0 110.527 168.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.8 mm -56.36 -32.25 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 117.771 -1.109 . . . . 0.0 112.779 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.78 -50.34 71.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 121.847 2.112 . . . . 0.0 111.793 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.49 93.68 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.618 0.645 . . . . 0.0 112.028 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -56.15 17.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.699 1.2 . . . . 0.0 111.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.72 -42.57 65.0 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 126.123 1.769 . . . . 0.0 111.678 170.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.58 80.4 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.192 1.36 . . . . 0.0 112.392 176.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -66.56 -45.32 79.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.731 0.696 . . . . 0.0 112.102 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.5 mt -70.34 -26.22 63.65 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -66.59 -35.19 79.6 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.861 -1.15 . . . . 0.0 111.568 167.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -61.98 -39.1 91.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.956 1.253 . . . . 0.0 111.574 169.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.83 -46.0 80.19 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.934 0.894 . . . . 0.0 111.716 174.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.9 -41.81 98.34 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.627 0.771 . . . . 0.0 111.804 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.81 86.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.91 1.284 . . . . 0.0 111.609 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.79 -39.6 91.12 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.658 0.663 . . . . 0.0 112.177 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.15 84.85 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.68 51.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.285 1.434 . . . . 0.0 112.214 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.5 mtt -55.87 111.02 0.82 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.134 0.974 . . . . 0.0 111.968 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.729 2.012 . . . . 0.0 112.209 176.342 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.67 -59.09 5.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.689 0.796 . . . . 0.0 111.623 169.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -53.6 -40.66 65.87 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -66.24 -48.47 70.43 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.02 0.827 . . . . 0.0 112.351 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -63.09 -43.24 99.05 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.09 0.556 . . . . 0.0 111.399 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.25 -35.14 76.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.929 1.292 . . . . 0.0 112.495 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.536 -1.353 . . . . 0.0 111.45 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.81 71.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.849 1.26 . . . . 0.0 114.296 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.7 p -70.15 -14.03 62.46 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.684 1.194 . . . . 0.0 113.141 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.97 26.54 18.94 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.998 1.285 . . . . 0.0 113.763 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -114.07 62.1 1.09 Allowed Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 127.535 2.334 . . . . 0.0 112.555 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -64.19 -26.16 64.9 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 122.586 2.191 . . . . 0.0 112.535 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -57.83 -36.63 72.53 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -80.26 -34.57 36.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.204 -0.935 . . . . 0.0 110.485 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.21 96.62 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.722 -0.611 . . . . 0.0 111.715 169.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.03 -34.23 77.53 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.25 -0.906 . . . . 0.0 112.962 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -37.34 68.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.19 0.904 . . . . 0.0 112.326 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -39.07 71.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.575 0.625 . . . . 0.0 112.556 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -18.17 64.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.669 0.788 . . . . 0.0 112.217 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -93.14 37.45 1.03 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.676 1.99 . . . . 0.0 111.721 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -56.78 1.99 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.631 1.972 . . . . 0.0 114.803 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.47 -24.26 67.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.151 1.78 . . . . 0.0 112.19 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.42 149.53 29.17 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.032 1.333 . . . . 0.0 112.062 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.29 143.81 20.09 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.456 2.77 . . . . 0.0 111.202 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.23 167.07 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 O-C-N 121.428 -0.795 . . . . 0.0 111.642 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -82.16 99.88 9.5 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.552 -0.717 . . . . 0.0 110.28 168.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.19 -32.48 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 121.267 -0.896 . . . . 0.0 110.657 168.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -54.8 -43.59 73.02 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.64 -41.99 87.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.246 1.018 . . . . 0.0 112.279 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -52.17 60.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.073 0.549 . . . . 0.0 110.617 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -38.6 71.53 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.002 1.721 . . . . 0.0 112.044 173.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -38.46 91.07 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.069 1.347 . . . . 0.0 113.668 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.58 -29.76 69.2 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.613 0.765 . . . . 0.0 112.551 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -125.21 49.76 1.85 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.183 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.35 31.89 0.18 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.242 1.417 . . . . 0.0 111.95 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -123.01 -14.73 7.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.507 1.923 . . . . 0.0 113.227 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.28 165.9 11.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.811 1.644 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 p30 -69.04 160.61 30.67 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 122.513 1.149 . . . . 0.0 113.654 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -17.73 60.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.714 171.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.72 71.44 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.919 1.236 . . . . 0.0 112.31 172.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.12 90.81 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.547 -0.721 . . . . 0.0 111.203 171.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.6 mm -60.44 -38.29 77.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-O 117.557 -1.211 . . . . 0.0 111.412 170.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.64 -43.63 98.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 122.604 2.456 . . . . 0.0 111.718 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.41 85.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.967 0.803 . . . . 0.0 112.033 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 tp -70.53 -51.16 30.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.4 t -52.05 -43.3 63.73 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 126.116 1.766 . . . . 0.0 112.269 166.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -61.3 -55.0 36.79 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.508 1.958 . . . . 0.0 112.416 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -62.03 -43.67 98.35 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.625 0.648 . . . . 0.0 111.396 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.1 mt -70.36 -31.09 68.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.347 1.059 . . . . 0.0 113.42 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -67.84 -33.51 74.91 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 120.467 -1.395 . . . . 0.0 112.092 167.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -60.53 -37.81 82.38 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.356 1.434 . . . . 0.0 111.474 170.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -45.7 74.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.933 0.893 . . . . 0.0 111.703 173.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.87 -44.1 97.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.464 0.706 . . . . 0.0 112.226 172.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -42.47 91.56 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.696 1.599 . . . . 0.0 111.209 176.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.1 -34.62 76.74 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.053 0.842 . . . . 0.0 112.001 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.02 91.91 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.72 1.208 . . . . 0.0 113.91 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.03 57.93 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.125 1.77 . . . . 0.0 111.14 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -73.49 44.95 0.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 127.174 2.19 . . . . 0.0 114.637 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--O 1.256 1.403 0 C-N-CA 128.849 2.86 . . . . 0.0 113.37 -175.113 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.84 -55.11 36.89 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.984 -0.447 . . . . 0.0 111.471 171.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.68 -40.87 63.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.786 0.834 . . . . 0.0 112.571 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.83 -49.01 79.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.844 1.202 . . . . 0.0 112.368 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -68.72 -43.48 75.87 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.739 -0.6 . . . . 0.0 112.151 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.86 -38.79 86.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.706 1.202 . . . . 0.0 112.239 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.79 91.1 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.499 -1.376 . . . . 0.0 111.344 171.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.13 -37.96 81.67 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.1 p -71.82 -12.35 61.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.639 1.175 . . . . 0.0 113.123 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.36 26.96 19.45 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.986 1.279 . . . . 0.0 114.08 177.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -114.64 66.99 1.81 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.191 2.196 . . . . 0.0 112.632 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.19 -28.12 56.25 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.995 2.464 . . . . 0.0 112.876 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -56.52 -33.08 65.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -85.25 -27.48 26.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.355 -0.841 . . . . 0.0 111.89 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.1 95.35 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.086 -1.009 . . . . 0.0 111.811 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -63.53 -33.94 76.7 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.908 0.883 . . . . 0.0 112.797 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.01 -38.04 72.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.486 0.715 . . . . 0.0 111.635 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -48.71 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.949 0.795 . . . . 0.0 111.53 173.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.88 -16.55 43.08 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.429 1.091 . . . . 0.0 112.902 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.43 46.19 1.27 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.439 1.895 . . . . 0.0 112.079 170.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.12 -8.3 0.66 Allowed 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.386 -1.446 . . . . 0.0 114.422 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.15 -38.63 71.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.974 2.51 . . . . 0.0 113.082 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -152.62 148.44 20.71 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.989 1.316 . . . . 0.0 112.127 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.12 153.6 28.53 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.278 2.652 . . . . 0.0 110.762 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.03 167.83 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.888 0.852 . . . . 0.0 112.168 -176.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -75.3 97.46 3.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.482 165.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.3 -31.17 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.373 -0.83 . . . . 0.0 110.661 167.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -51.47 -45.48 62.76 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.652 -0.655 . . . . 0.0 112.311 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.88 -42.87 94.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.813 0.733 . . . . 0.0 111.844 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -42.73 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.121 0.873 . . . . 0.0 111.656 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -32.53 71.95 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -76.27 -39.48 54.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.29 1.036 . . . . 0.0 112.72 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.71 -35.46 65.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.755 0.822 . . . . 0.0 111.645 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -101.58 33.24 3.03 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.572 1.149 . . . . 0.0 111.937 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -11.77 36.69 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 120.485 -1.384 . . . . 0.0 113.626 173.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -62.82 -15.26 53.36 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.548 1.539 . . . . 0.0 114.594 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -116.72 159.36 22.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.935 1.694 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -67.19 158.37 31.47 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.535 0.683 . . . . 0.0 112.681 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -19.25 58.88 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 171.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.46 99.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.341 1.056 . . . . 0.0 112.899 169.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.18 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.337 172.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.78 -34.15 36.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 CA-C-O 117.479 -1.248 . . . . 0.0 112.11 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.01 -48.81 80.16 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.566 2.439 . . . . 0.0 112.519 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.09 -37.73 78.6 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.779 0.718 . . . . 0.0 112.395 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -55.38 13.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.931 1.293 . . . . 0.0 111.423 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.9 -42.37 62.68 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 126.494 1.917 . . . . 0.0 111.675 167.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -59.45 -52.19 66.66 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.88 1.673 . . . . 0.0 112.28 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -61.47 -49.61 76.12 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.843 0.747 . . . . 0.0 111.227 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.99 -33.8 75.0 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.26 -36.17 82.3 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.156 1.383 . . . . 0.0 112.646 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -58.04 -36.95 73.47 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.534 1.515 . . . . 0.0 111.021 169.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.06 -46.03 62.71 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.316 0.647 . . . . 0.0 110.865 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.5 -47.17 85.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.82 0.848 . . . . 0.0 111.181 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -43.95 88.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.797 1.639 . . . . 0.0 111.799 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.9 t -66.79 -38.91 87.45 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.814 0.733 . . . . 0.0 112.202 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.03 89.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.821 1.249 . . . . 0.0 113.714 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.37 55.8 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.791 1.636 . . . . 0.0 111.913 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -60.86 116.0 4.12 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.565 -0.709 . . . . 0.0 111.094 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.025 1.33 . . . . 0.0 111.371 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.77 28.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.035 -0.415 . . . . 0.0 111.801 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.9 t -52.25 -42.42 63.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.266 1.026 . . . . 0.0 112.638 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.16 -50.38 73.91 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.764 1.165 . . . . 0.0 112.602 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -69.48 -41.86 75.59 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.883 -0.511 . . . . 0.0 112.099 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.82 -39.07 90.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.396 1.078 . . . . 0.0 112.375 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.66 89.49 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.785 -1.197 . . . . 0.0 110.872 171.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.54 91.37 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.7 p -72.54 -12.52 61.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.585 1.154 . . . . 0.0 113.076 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.1 26.05 20.07 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.826 1.203 . . . . 0.0 114.033 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.2 64.95 0.73 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.781 2.433 . . . . 0.0 111.469 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -62.02 -27.88 79.87 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.384 2.056 . . . . 0.0 111.857 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.63 -47.32 58.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.603 1.561 . . . . 0.0 113.438 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -77.49 -38.04 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.622 1.101 . . . . 0.0 111.751 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.66 83.93 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.238 0.615 . . . . 0.0 112.017 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -69.25 -41.75 76.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.822 1.249 . . . . 0.0 112.373 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.39 -29.97 62.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.176 0.99 . . . . 0.0 111.43 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -55.83 -41.81 74.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.947 -1.096 . . . . 0.0 113.76 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.0 -25.18 68.27 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.224 -0.923 . . . . 0.0 111.782 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.65 37.1 0.63 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.398 2.279 . . . . 0.0 112.306 173.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -57.28 -6.95 0.47 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.592 1.557 . . . . 0.0 114.284 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' H ' HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -62.42 -13.07 25.68 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 120.347 -1.47 . . . . 0.0 112.724 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -140.93 150.76 60.54 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.05 1.74 . . . . 0.0 111.75 168.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.96 139.05 19.04 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.988 2.459 . . . . 0.0 110.512 165.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.57 169.51 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 C-N-CA 125.538 1.535 . . . . 0.0 110.269 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -102.11 94.29 5.68 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.456 -1.402 . . . . 0.0 111.243 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.3 mm -53.7 -40.49 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.696 0.799 . . . . 0.0 111.069 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -58.76 -41.01 85.59 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.34 -0.85 . . . . 0.0 112.872 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.9 tp -72.88 -38.48 66.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.246 0.619 . . . . 0.0 111.441 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -41.39 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.403 1.081 . . . . 0.0 112.22 172.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -63.7 -22.32 66.84 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.644 1.578 . . . . 0.0 114.722 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -94.24 -44.02 8.16 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.52 1.128 . . . . 0.0 112.334 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.87 -34.66 76.4 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.947 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -118.8 33.79 5.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.568 1.547 . . . . 0.0 111.315 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.58 -4.87 9.57 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.576 -1.327 . . . . 0.0 113.678 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -64.76 -15.73 61.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.586 1.554 . . . . 0.0 114.052 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -116.18 160.03 20.96 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.201 1.801 . . . . 0.0 111.724 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.89 156.61 30.42 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.528 1.131 . . . . 0.0 112.405 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -60.68 -24.66 65.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.45 -43.63 93.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.405 1.082 . . . . 0.0 113.035 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.85 -46.6 68.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.32 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.25 -35.4 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.929 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.75 -51.39 69.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 122.38 2.354 . . . . 0.0 111.471 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.92 89.06 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.51 -0.744 . . . . 0.0 112.344 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -48.23 79.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.999 0.919 . . . . 0.0 111.821 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.3 t -54.74 -42.9 72.16 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 127.111 2.164 . . . . 0.0 110.992 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -46.98 86.22 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.208 0.913 . . . . 0.0 112.543 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -45.57 83.96 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.45 -29.31 68.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -69.94 -32.72 71.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.468 -1.395 . . . . 0.0 112.757 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 m -60.38 -38.35 83.67 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.963 1.256 . . . . 0.0 111.245 168.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -41.43 85.62 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.632 0.773 . . . . 0.0 111.511 173.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.81 -46.67 89.62 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.103 0.865 . . . . 0.0 112.159 170.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -55.32 -45.52 76.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.391 1.076 . . . . 0.0 110.825 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.5 t -67.48 -35.89 80.04 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 118.694 0.679 . . . . 0.0 112.775 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.48 87.51 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.7 m -132.63 58.71 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.909 1.684 . . . . 0.0 111.044 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.3 mtp -63.29 82.19 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.495 1.518 . . . . 0.0 112.32 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 pttp . . . . . 0 C--O 1.251 1.177 0 C-N-CA 124.771 1.228 . . . . 0.0 113.523 173.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.37 3.56 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.216 171.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.09 -37.7 47.35 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.4 -49.14 72.71 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.208 0.913 . . . . 0.0 111.734 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -65.99 -43.21 88.42 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.927 -0.483 . . . . 0.0 111.673 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.13 -37.06 76.33 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.82 1.248 . . . . 0.0 112.39 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -74.31 -37.03 63.72 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.692 -1.255 . . . . 0.0 111.945 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.28 83.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.725 1.21 . . . . 0.0 114.171 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 p -70.83 -12.06 61.32 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.734 1.214 . . . . 0.0 113.063 172.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.12 25.63 23.79 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.061 1.315 . . . . 0.0 113.945 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -114.77 66.41 1.79 Allowed Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.813 2.045 . . . . 0.0 112.764 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -64.24 -25.89 64.6 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.888 2.392 . . . . 0.0 112.758 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -57.11 -35.81 69.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -83.31 -34.58 25.68 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.334 -0.854 . . . . 0.0 111.248 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.1 87.62 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 122.776 0.43 . . . . 0.0 111.731 168.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -64.47 -34.36 78.02 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.141 -0.974 . . . . 0.0 112.972 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -37.75 67.68 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.581 1.082 . . . . 0.0 112.136 173.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -40.88 80.02 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.727 0.694 . . . . 0.0 112.719 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.29 -18.34 65.23 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.399 -0.813 . . . . 0.0 111.811 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.74 37.12 1.01 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.81 2.044 . . . . 0.0 112.212 173.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -55.74 -0.96 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.094 1.758 . . . . 0.0 114.971 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -63.52 -26.86 68.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.796 1.638 . . . . 0.0 112.33 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.6 150.53 31.12 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.39 1.476 . . . . 0.0 112.102 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.39 145.04 20.87 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.089 2.526 . . . . 0.0 111.434 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.03 165.92 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.842 0.857 . . . . 0.0 112.274 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.77 96.65 8.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.828 0.851 . . . . 0.0 110.587 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.7 mm -56.69 -31.82 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.235 -0.915 . . . . 0.0 111.266 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -52.37 -34.55 48.17 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.066 1.346 . . . . 0.0 113.901 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -43.95 66.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.534 0.606 . . . . 0.0 111.077 172.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -37.9 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.823 0.738 . . . . 0.0 112.377 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -39.97 89.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.942 0.897 . . . . 0.0 113.032 172.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -74.38 -43.8 54.87 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.752 0.821 . . . . 0.0 112.936 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.68 -29.21 69.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.309 1.044 . . . . 0.0 112.437 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -123.94 42.82 3.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 111.701 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.76 -11.99 14.83 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.865 -1.147 . . . . 0.0 113.603 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -17.63 64.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 114.315 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 pp -119.84 143.26 47.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.25 169.84 8.1 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.891 1.277 . . . . 0.0 113.168 -172.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -29.82 58.26 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.398 -1.287 . . . . 0.0 112.991 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.3 -40.01 92.59 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.479 1.945 . . . . 0.0 114.226 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.94 -49.49 24.39 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.545 -0.722 . . . . 0.0 110.519 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -54.7 -33.2 27.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.34 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.02 -52.92 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 121.346 1.885 . . . . 0.0 110.902 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.51 95.62 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.196 0.907 . . . . 0.0 111.919 174.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.19 -58.44 7.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.403 1.481 . . . . 0.0 111.231 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.47 -37.55 62.78 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 126.966 2.106 . . . . 0.0 112.642 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -51.29 55.84 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.577 1.535 . . . . 0.0 111.551 177.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.26 -44.2 97.64 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.558 0.617 . . . . 0.0 111.678 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.09 -29.59 66.61 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -69.2 -32.24 71.38 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 120.422 -1.424 . . . . 0.0 111.997 168.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -59.63 -34.53 72.9 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.96 1.255 . . . . 0.0 111.806 169.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -43.85 65.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.849 0.86 . . . . 0.0 111.414 174.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.6 -43.24 97.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.226 0.61 . . . . 0.0 111.982 171.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -46.29 85.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.928 1.291 . . . . 0.0 111.116 173.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.85 -35.6 81.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.776 0.717 . . . . 0.0 112.004 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.48 83.9 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.62 49.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.751 1.22 . . . . 0.0 112.654 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.5 mtm -59.88 99.0 0.06 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.318 1.047 . . . . 0.0 112.17 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.709 1.604 . . . . 0.0 112.802 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.52 12.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.13 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.0 t -51.66 -43.84 62.81 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.953 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.76 -47.17 84.69 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.914 0.779 . . . . 0.0 112.533 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.614 -0.679 . . . . 0.0 112.339 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.42 -39.04 82.23 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.564 1.145 . . . . 0.0 111.758 174.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -41.66 90.96 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.3 -0.875 . . . . 0.0 112.149 170.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -41.33 70.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -68.9 -22.6 64.17 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.023 0.829 . . . . 0.0 112.693 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.08 28.63 7.19 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.71 1.148 . . . . 0.0 113.935 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -114.34 62.21 1.19 Allowed Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.799 2.04 . . . . 0.0 112.365 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -64.84 -23.9 61.88 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.938 2.425 . . . . 0.0 112.651 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -32.48 59.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 170.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -88.88 -26.46 21.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.85 0.86 . . . . 0.0 111.737 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.68 85.28 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.971 -1.081 . . . . 0.0 111.46 167.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -29.47 70.79 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.84 0.856 . . . . 0.0 113.005 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.85 -35.01 75.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.814 1.245 . . . . 0.0 111.773 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -43.02 97.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.423 0.689 . . . . 0.0 111.903 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -19.55 63.75 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.508 -0.745 . . . . 0.0 111.796 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -91.15 35.64 0.92 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.46 1.904 . . . . 0.0 112.997 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -54.79 -3.61 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.327 1.851 . . . . 0.0 115.871 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.13 -29.63 67.54 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.285 1.834 . . . . 0.0 113.053 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -152.72 152.28 28.28 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.426 1.491 . . . . 0.0 111.936 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -79.78 150.7 21.39 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.003 2.469 . . . . 0.0 110.894 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.21 170.13 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.756 0.822 . . . . 0.0 111.349 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.84 103.37 11.47 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.363 -0.835 . . . . 0.0 110.747 165.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.9 mm -53.82 -28.3 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.533 -0.73 . . . . 0.0 111.254 168.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -50.58 -41.7 54.82 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.423 0.689 . . . . 0.0 112.424 173.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.42 -43.28 91.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.509 1.049 . . . . 0.0 111.974 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -46.52 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.148 0.579 . . . . 0.0 111.108 174.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -28.57 64.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.797 1.639 . . . . 0.0 112.979 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -74.98 -43.76 52.12 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.849 1.204 . . . . 0.0 112.227 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.55 -33.51 69.2 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.304 0.502 . . . . 0.0 111.901 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -104.42 29.42 6.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.927 0.891 . . . . 0.0 112.257 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.74 -8.29 41.64 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.765 -1.21 . . . . 0.0 112.534 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -65.91 -34.11 77.37 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.37 1.068 . . . . 0.0 113.25 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 pp -89.39 164.73 14.75 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.505 1.122 . . . . 0.0 111.858 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.47 151.56 44.99 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -21.72 62.97 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -36.45 82.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.938 1.244 . . . . 0.0 113.787 170.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.35 -38.0 68.7 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.463 1.029 . . . . 0.0 110.701 168.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -58.75 -35.33 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.383 1.447 . . . . 0.0 112.174 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.3 -51.28 70.22 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 122.484 2.402 . . . . 0.0 112.085 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.17 95.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.389 0.995 . . . . 0.0 111.946 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.65 -52.43 38.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.996 0.918 . . . . 0.0 111.668 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -53.54 -45.32 69.78 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.66 1.584 . . . . 0.0 111.742 168.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -49.59 76.82 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.562 1.528 . . . . 0.0 112.465 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.97 -40.78 87.54 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.826 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HA ' ' HG ' ' A' ' 53' ' ' LEU . 1.3 mp -73.12 -30.87 63.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.597 0.759 . . . . 0.0 112.423 178.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -62.68 -36.28 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.673 1.189 . . . . 0.0 111.989 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -31.85 68.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.404 1.002 . . . . 0.0 112.268 171.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' HG ' ' HA ' ' A' ' 50' ' ' LEU . 3.7 mt -74.05 -44.43 54.29 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 110.874 175.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.83 -37.51 79.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.334 0.654 . . . . 0.0 112.247 171.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -42.51 91.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.898 1.279 . . . . 0.0 112.003 173.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.4 t -65.24 -38.34 90.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.537 1.062 . . . . 0.0 111.851 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.06 83.8 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 113.541 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.17 70.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.494 2.318 . . . . 0.0 108.653 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.1 mtt -72.65 99.29 2.53 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.349 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.147 1.779 . . . . 0.0 111.045 179.205 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.58 -57.97 9.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 119.25 -0.405 . . . . 0.0 111.167 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 t -48.53 -40.29 26.36 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.252 1.021 . . . . 0.0 112.859 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.1 -48.29 82.34 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.768 1.167 . . . . 0.0 112.201 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -69.78 -41.0 75.69 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.668 -0.645 . . . . 0.0 112.27 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.68 -41.92 96.09 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.12 1.368 . . . . 0.0 111.453 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.51 87.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.363 1.465 . . . . 0.0 112.067 171.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.78 83.06 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 t -68.18 -19.73 64.81 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.27 -0.894 . . . . 0.0 112.596 171.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.21 28.84 8.32 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.792 1.187 . . . . 0.0 113.888 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -114.71 68.78 2.06 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.035 2.134 . . . . 0.0 112.13 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -65.7 -23.89 55.68 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.657 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -55.87 -36.38 67.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -83.11 -30.96 27.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.553 -0.717 . . . . 0.0 111.699 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.23 93.87 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.302 -0.874 . . . . 0.0 112.001 169.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -63.15 -37.23 86.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.355 1.062 . . . . 0.0 112.226 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.87 -33.02 68.25 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.478 1.111 . . . . 0.0 112.477 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -40.5 83.54 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.153 -0.967 . . . . 0.0 112.703 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.68 -16.98 63.66 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.097 -1.002 . . . . 0.0 111.912 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -85.06 28.07 0.73 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.781 2.033 . . . . 0.0 112.703 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -51.52 -6.3 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.076 2.15 . . . . 0.0 115.724 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.3 -28.81 67.11 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.166 1.787 . . . . 0.0 112.936 172.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -151.91 152.29 29.69 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.911 1.284 . . . . 0.0 112.833 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.8 142.87 12.91 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.262 2.641 . . . . 0.0 110.949 170.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.96 170.12 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.673 1.589 . . . . 0.0 111.61 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -85.58 99.5 11.3 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.563 168.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.92 -29.77 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.14 -0.975 . . . . 0.0 112.194 169.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -50.14 -33.87 20.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.519 1.128 . . . . 0.0 113.525 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 tp -73.95 -38.31 64.28 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.624 0.647 . . . . 0.0 111.862 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -39.25 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.366 -0.834 . . . . 0.0 112.334 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.34 68.09 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 171.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -88.2 -46.29 9.38 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.457 1.026 . . . . 0.0 113.046 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.57 -38.86 82.26 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.054 0.942 . . . . 0.0 111.289 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -119.75 66.06 0.81 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.76 1.624 . . . . 0.0 107.956 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -88.39 -5.6 58.2 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.122 1.369 . . . . 0.0 112.128 168.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -69.01 -36.47 77.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.8 1.24 . . . . 0.0 113.511 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -179.21 2.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.087 2.155 . . . . 0.0 112.814 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -90.44 155.75 18.7 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.928 -1.107 . . . . 0.0 112.733 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.97 -21.15 60.86 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -49.36 78.15 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 112.825 168.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -36.38 75.03 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.984 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.14 -36.86 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.077 -1.44 . . . . 0.0 112.637 168.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -47.46 74.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.965 2.166 . . . . 0.0 111.598 177.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -36.14 36.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.052 0.941 . . . . 0.0 113.319 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.64 -50.51 70.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.951 1.7 . . . . 0.0 109.745 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -57.87 -40.21 79.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 125.078 1.351 . . . . 0.0 111.834 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -52.7 63.36 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.494 1.952 . . . . 0.0 112.429 176.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.03 -47.77 83.28 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.231 0.612 . . . . 0.0 111.928 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.5 -31.96 72.44 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.904 0.775 . . . . 0.0 112.265 176.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -62.39 -34.25 76.35 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.143 -1.598 . . . . 0.0 110.78 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -61.62 -37.1 82.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.58 1.082 . . . . 0.0 112.916 170.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -44.94 76.96 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.82 0.848 . . . . 0.0 111.336 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -62.65 -45.91 90.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.241 1.016 . . . . 0.0 112.518 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -41.59 93.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.423 1.489 . . . . 0.0 111.961 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 11.6 t -67.94 -35.14 77.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.682 0.673 . . . . 0.0 111.547 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.75 92.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.45 55.38 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.637 1.575 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.18 73.86 0.48 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.717 1.607 . . . . 0.0 112.695 176.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.256 1.399 0 C-N-CA 126.399 1.88 . . . . 0.0 114.489 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.95 35.28 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.168 -0.957 . . . . 0.0 111.483 167.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -49.6 -40.35 38.63 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.206 1.402 . . . . 0.0 113.054 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.73 -47.5 84.39 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.525 -0.735 . . . . 0.0 112.243 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -67.8 -42.79 81.03 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.509 -1.369 . . . . 0.0 111.925 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.0 -30.23 71.44 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.818 1.247 . . . . 0.0 111.533 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -31.14 29.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 0.0 111.343 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.57 75.58 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.025 1.33 . . . . 0.0 113.678 170.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.7 p -79.45 -12.8 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 24.39 24.11 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 124.346 0.974 . . . . 0.0 114.379 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -117.71 62.5 3.91 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.981 1.312 . . . . 0.0 112.966 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -59.55 -25.92 80.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.097 1.864 . . . . 0.0 112.637 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -47.44 -39.06 14.79 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 166.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -80.87 -36.95 30.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 122.988 0.515 . . . . 0.0 111.658 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.33 74.13 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 120.72 -1.238 . . . . 0.0 111.889 170.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -26.9 67.12 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 117.792 -1.099 . . . . 0.0 113.266 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -28.69 64.05 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.975 1.261 . . . . 0.0 113.161 175.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -37.27 86.89 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 121.01 -1.056 . . . . 0.0 111.238 171.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.58 -10.25 54.66 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.909 -1.119 . . . . 0.0 111.379 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -100.57 34.25 2.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.952 1.301 . . . . 0.0 112.066 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -53.09 -5.27 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 127.01 2.124 . . . . 0.0 115.298 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.82 -24.08 66.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.616 2.366 . . . . 0.0 113.261 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.77 151.34 24.81 Favored Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 125.457 1.503 . . . . 0.0 113.457 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -78.95 132.95 10.88 Favored 'Trans proline' 0 C--N 1.363 1.34 0 C-N-CA 121.895 1.73 . . . . 0.0 112.568 168.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.08 157.33 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.059 1.744 . . . . 0.0 112.98 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -76.75 113.51 14.49 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.135 0.88 . . . . 0.0 111.332 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 mm -55.64 -34.0 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 120.978 -1.076 . . . . 0.0 110.361 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -37.63 44.96 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.777 1.231 . . . . 0.0 113.531 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.42 97.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.319 0.647 . . . . 0.0 111.145 176.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.2 67.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.753 0.821 . . . . 0.0 111.985 172.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -27.98 69.54 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.139 1.336 . . . . 0.0 111.034 170.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -46.39 17.67 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.323 1.874 . . . . 0.0 111.813 172.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.12 -35.26 78.2 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.109 -0.995 . . . . 0.0 111.939 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -125.11 78.6 1.72 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.81 -11.13 27.33 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.502 1.121 . . . . 0.0 113.563 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -66.72 -30.7 71.0 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.454 -2.029 . . . . 0.0 114.49 -174.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 179.21 7.55 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 126.57 1.948 . . . . 0.0 113.491 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -85.71 157.14 20.37 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.57 -1.331 . . . . 0.0 112.932 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -22.92 62.44 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 171.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -42.09 99.6 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.984 -1.072 . . . . 0.0 112.964 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.82 -35.88 67.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.532 0.605 . . . . 0.0 111.22 172.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.8 mm -56.78 -37.82 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.484 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -57.45 -42.12 81.87 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 122.274 2.306 . . . . 0.0 112.582 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.77 -39.91 50.06 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.79 -51.2 65.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.224 1.41 . . . . 0.0 110.138 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -57.21 -50.35 73.15 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 125.452 1.501 . . . . 0.0 111.481 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -48.79 73.43 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.373 1.897 . . . . 0.0 112.088 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -52.63 59.14 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.41 -28.15 68.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 120.166 1.348 . . . . 0.0 111.917 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -73.55 -30.62 63.17 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 119.202 -2.186 . . . . 0.0 113.11 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -59.4 -32.34 70.08 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.323 0.965 . . . . 0.0 113.083 165.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.69 -42.2 74.41 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.653 0.781 . . . . 0.0 111.567 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.7 -40.73 79.88 Favored 'General case' 0 CA--C 1.565 1.536 0 O-C-N 121.529 -0.732 . . . . 0.0 112.514 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -42.63 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.842 1.257 . . . . 0.0 111.202 166.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.5 t -65.09 -37.52 87.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 119.452 1.024 . . . . 0.0 113.016 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.59 70.82 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.769 1.228 . . . . 0.0 113.155 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.37 52.42 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.731 1.213 . . . . 0.0 112.186 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.55 110.22 0.94 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.602 -1.311 . . . . 0.0 111.143 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.283 2.828 0 C-N-CA 126.681 1.993 . . . . 0.0 112.494 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -56.93 -32.43 65.97 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 120.382 1.447 . . . . 0.0 112.681 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.57 -61.45 2.49 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.873 0.869 . . . . 0.0 112.097 167.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.1 m -53.94 -42.11 68.5 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.558 1.072 . . . . 0.0 113.649 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.84 -44.64 76.71 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.308 0.643 . . . . 0.0 112.279 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -66.64 -40.19 88.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.413 0.685 . . . . 0.0 111.507 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.55 -42.05 91.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.129 1.372 . . . . 0.0 111.837 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.62 82.87 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.059 -1.026 . . . . 0.0 112.214 169.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.04 77.69 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -70.02 -24.77 63.33 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.642 1.11 . . . . 0.0 112.8 171.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.55 29.74 4.61 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.464 1.031 . . . . 0.0 113.86 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -115.08 62.65 1.51 Allowed Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 128.353 2.661 . . . . 0.0 111.324 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -62.67 -27.01 75.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.26 1.973 . . . . 0.0 112.354 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -52.97 -43.23 66.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.43 1.492 . . . . 0.0 113.121 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -79.45 -29.03 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.124 -0.985 . . . . 0.0 112.12 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.16 88.58 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.463 -0.773 . . . . 0.0 111.388 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.99 -35.14 77.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 112.127 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.01 -29.89 63.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.239 1.016 . . . . 0.0 112.88 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.91 -38.21 78.39 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.219 0.918 . . . . 0.0 112.706 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -68.29 -16.08 63.82 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.345 -0.847 . . . . 0.0 112.132 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -92.75 34.45 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.721 2.008 . . . . 0.0 111.019 174.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -59.0 4.6 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.225 1.81 . . . . 0.0 115.207 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -22.15 65.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.363 -1.461 . . . . 0.0 113.094 175.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -149.23 147.45 23.61 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.344 1.458 . . . . 0.0 112.201 171.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -79.4 152.04 23.22 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.187 2.592 . . . . 0.0 110.609 169.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.47 161.26 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 121.643 0.735 . . . . 0.0 112.738 -174.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -70.93 87.83 0.74 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.717 0.807 . . . . 0.0 110.551 168.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.6 mm -48.07 -42.5 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.798 1.239 . . . . 0.0 111.159 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 t -61.49 -35.09 76.7 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.43 -44.68 74.45 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.197 -0.939 . . . . 0.0 110.461 172.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.95 -41.48 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.242 0.617 . . . . 0.0 111.581 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -58.9 -24.65 62.58 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.867 1.667 . . . . 0.0 114.575 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -36.22 41.79 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.542 1.519 . . . . 0.0 112.866 168.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.44 -26.0 67.0 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.75 31.5 4.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.876 1.27 . . . . 0.0 112.893 177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.05 -11.62 2.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -60.84 -28.63 68.96 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.914 1.686 . . . . 0.0 114.47 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.92 160.76 14.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.373 1.069 . . . . 0.0 113.54 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.23 155.95 39.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.827 0.851 . . . . 0.0 112.62 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -58.07 -14.85 7.47 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -47.05 88.25 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.808 1.185 . . . . 0.0 113.248 167.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.05 -25.83 39.97 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.06 -46.77 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.517 163.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.81 -44.36 90.81 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 121.059 1.754 . . . . 0.0 112.531 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.23 66.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.689 0.677 . . . . 0.0 111.799 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.87 -47.34 86.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.539 0.736 . . . . 0.0 112.121 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.6 m -57.0 -45.51 82.98 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 125.032 1.333 . . . . 0.0 111.469 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -46.31 84.93 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 121.09 1.768 . . . . 0.0 111.81 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -69.02 -47.53 65.21 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.22 -30.41 69.47 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 112.725 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.31 -29.36 64.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.116 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.2 m -60.92 -42.26 97.74 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.587 1.994 . . . . 0.0 111.297 166.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -46.82 81.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.755 0.822 . . . . 0.0 111.857 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.77 -42.45 99.7 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.564 0.746 . . . . 0.0 112.62 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -40.26 75.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.954 1.701 . . . . 0.0 111.358 175.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.57 -37.21 71.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.435 0.694 . . . . 0.0 111.612 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.58 84.34 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.598 1.159 . . . . 0.0 113.793 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.3 m -132.52 52.99 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.73 1.612 . . . . 0.0 112.068 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.33 62.78 0.06 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.885 2.074 . . . . 0.0 114.85 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mttt . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.062 1.745 . . . . 0.0 113.141 171.607 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 mttm . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -33.55 74.79 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 119.551 -1.968 . . . . 0.0 112.91 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.42 -57.99 10.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.956 0.903 . . . . 0.0 111.742 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -54.23 -39.9 67.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 112.474 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.49 -49.22 77.65 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.696 1.134 . . . . 0.0 111.976 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -64.7 -45.66 85.66 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.945 -0.472 . . . . 0.0 111.959 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.97 -39.99 91.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.955 1.302 . . . . 0.0 112.379 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -40.08 92.47 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.574 -1.328 . . . . 0.0 111.48 173.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.05 76.15 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 p -72.31 -14.04 61.65 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.261 1.024 . . . . 0.0 113.353 173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.55 26.96 12.27 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.783 1.183 . . . . 0.0 113.95 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -112.57 67.67 0.95 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.279 2.232 . . . . 0.0 111.671 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.45 -29.5 71.45 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.812 2.341 . . . . 0.0 112.015 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -51.85 -45.86 64.18 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.329 1.452 . . . . 0.0 113.544 170.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -79.36 -38.88 33.97 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.515 -0.741 . . . . 0.0 111.099 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.7 76.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.791 0.836 . . . . 0.0 112.141 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -72.78 -36.1 67.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.955 1.302 . . . . 0.0 112.895 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -37.8 62.4 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.199 0.909 . . . . 0.0 111.68 172.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -38.82 64.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 174.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -19.88 64.91 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.981 178.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.8 34.93 1.05 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.3 2.24 . . . . 0.0 111.854 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -56.27 0.06 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.094 1.758 . . . . 0.0 115.102 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.95 -24.85 59.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.299 1.839 . . . . 0.0 112.801 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -144.8 146.12 30.42 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 111.649 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -78.96 152.72 24.93 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.136 2.558 . . . . 0.0 111.869 168.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.71 165.7 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.746 1.218 . . . . 0.0 111.786 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.94 101.19 13.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.666 -0.646 . . . . 0.0 110.604 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -54.56 -39.54 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.98 0.912 . . . . 0.0 110.524 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -56.53 -34.0 66.61 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.284 1.034 . . . . 0.0 113.395 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -41.05 63.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.795 0.838 . . . . 0.0 111.339 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.82 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 112.326 172.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -25.19 64.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 113.319 171.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -86.75 -44.63 11.63 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.556 1.071 . . . . 0.0 111.98 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -61.35 -37.3 82.83 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.477 0.711 . . . . 0.0 112.117 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -114.83 46.73 1.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.674 1.59 . . . . 0.0 109.92 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -71.62 -10.69 60.15 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -71.67 -23.09 61.6 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.634 1.574 . . . . 0.0 114.736 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -173.22 3.84 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.34 1.856 . . . . 0.0 112.759 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.23 159.4 15.58 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.175 -0.953 . . . . 0.0 112.724 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.27 -23.6 37.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.54 -46.51 88.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.831 0.852 . . . . 0.0 112.843 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.77 72.12 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 117.342 -1.314 . . . . 0.0 110.506 172.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.7 mm -56.88 -32.64 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.541 1.519 . . . . 0.0 113.345 173.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.02 -49.56 75.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 122.003 2.183 . . . . 0.0 111.682 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.73 80.22 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.462 -0.774 . . . . 0.0 112.57 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tp -64.73 -50.72 65.77 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 125.71 1.604 . . . . 0.0 111.156 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.04 -45.76 86.45 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.247 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.82 -49.39 77.91 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.084 1.766 . . . . 0.0 112.205 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 mmt-85 -66.87 -50.25 63.07 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.756 0.822 . . . . 0.0 111.832 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.81 -31.06 71.44 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.977 -1.077 . . . . 0.0 113.126 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.28 -39.57 92.77 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 120.577 -1.327 . . . . 0.0 110.987 167.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -57.46 -36.87 71.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.766 1.166 . . . . 0.0 111.978 170.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -44.09 86.15 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.837 0.744 . . . . 0.0 111.668 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.11 -44.16 96.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.214 0.605 . . . . 0.0 112.241 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -41.86 96.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.212 1.405 . . . . 0.0 111.572 175.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.15 -34.93 75.75 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.016 0.825 . . . . 0.0 111.826 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.29 93.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.531 1.132 . . . . 0.0 113.681 172.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.26 54.78 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.151 1.38 . . . . 0.0 112.068 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -71.94 61.64 0.42 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.707 2.003 . . . . 0.0 113.89 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.634 1.573 . . . . 0.0 113.626 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 tttp . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 117.135 -1.412 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -54.95 -38.04 67.22 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 121.399 1.909 . . . . 0.0 113.534 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -57.01 14.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.969 -0.457 . . . . 0.0 111.312 172.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.53 -40.89 62.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.081 0.952 . . . . 0.0 112.674 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -62.53 -49.36 75.64 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.681 1.128 . . . . 0.0 112.083 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -67.02 -43.01 83.95 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.804 -0.56 . . . . 0.0 111.836 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.29 -39.31 92.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 112.342 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.76 98.08 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.513 -1.367 . . . . 0.0 111.131 171.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.81 80.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -72.57 -13.02 61.3 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.534 1.133 . . . . 0.0 113.079 173.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.02 26.43 16.45 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.076 1.322 . . . . 0.0 114.143 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -114.18 63.5 1.24 Allowed Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 127.328 2.251 . . . . 0.0 112.852 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -64.81 -25.36 60.65 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.916 2.411 . . . . 0.0 112.729 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -57.48 -31.23 65.77 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -85.1 -31.28 23.43 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.221 -0.925 . . . . 0.0 111.462 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.17 93.17 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.147 -0.97 . . . . 0.0 111.438 166.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.2 -35.96 82.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.835 0.854 . . . . 0.0 112.748 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -35.25 69.66 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.645 1.111 . . . . 0.0 112.164 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -40.03 93.37 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.391 0.615 . . . . 0.0 112.438 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.28 -15.32 59.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.008 0.923 . . . . 0.0 112.319 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.72 35.81 1.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.787 2.035 . . . . 0.0 111.837 175.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -52.36 -3.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.248 2.219 . . . . 0.0 115.596 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.61 -28.39 67.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.704 2.001 . . . . 0.0 112.727 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.11 151.49 34.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.041 1.337 . . . . 0.0 112.274 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -77.83 141.03 18.89 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.234 2.623 . . . . 0.0 111.005 170.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.14 169.51 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-O 121.669 0.747 . . . . 0.0 111.917 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -87.36 98.76 11.53 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.614 -0.679 . . . . 0.0 110.174 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.0 mm -53.97 -36.04 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.483 -0.761 . . . . 0.0 110.545 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -52.74 -46.08 67.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.677 0.791 . . . . 0.0 112.126 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.91 -40.85 83.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.468 0.707 . . . . 0.0 111.357 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -47.48 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.057 0.844 . . . . 0.0 111.194 174.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -35.93 81.12 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.276 1.83 . . . . 0.0 112.54 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -71.99 -43.83 64.49 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.393 0.997 . . . . 0.0 112.808 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.89 -32.73 71.22 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.597 0.759 . . . . 0.0 111.934 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -109.33 33.55 4.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 111.517 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -6.76 10.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.882 -1.136 . . . . 0.0 113.144 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -62.65 -17.04 59.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.864 1.266 . . . . 0.0 113.943 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -115.06 159.45 20.82 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.978 1.711 . . . . 0.0 111.751 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.6 161.6 30.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.598 0.759 . . . . 0.0 112.627 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 mpp_? -61.13 -27.2 68.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.062 -0.971 . . . . 0.0 113.563 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -33.23 74.97 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.319 1.418 . . . . 0.0 113.895 171.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.69 -47.58 53.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.15 0.886 . . . . 0.0 110.527 168.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.8 mm -56.36 -32.25 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 117.771 -1.109 . . . . 0.0 112.779 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.78 -50.34 71.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 121.847 2.112 . . . . 0.0 111.793 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.49 93.68 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.618 0.645 . . . . 0.0 112.028 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -56.15 17.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.699 1.2 . . . . 0.0 111.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.72 -42.57 65.0 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 126.123 1.769 . . . . 0.0 111.678 170.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.58 80.4 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.192 1.36 . . . . 0.0 112.392 176.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -66.56 -45.32 79.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.731 0.696 . . . . 0.0 112.102 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.5 mt -70.34 -26.22 63.65 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -66.59 -35.19 79.6 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.861 -1.15 . . . . 0.0 111.568 167.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -61.98 -39.1 91.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.956 1.253 . . . . 0.0 111.574 169.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.83 -46.0 80.19 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.934 0.894 . . . . 0.0 111.716 174.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.9 -41.81 98.34 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.627 0.771 . . . . 0.0 111.804 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.81 86.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.91 1.284 . . . . 0.0 111.609 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.79 -39.6 91.12 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.658 0.663 . . . . 0.0 112.177 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.15 84.85 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.68 51.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.285 1.434 . . . . 0.0 112.214 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.5 mtt -55.87 111.02 0.82 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.134 0.974 . . . . 0.0 111.968 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.729 2.012 . . . . 0.0 112.209 176.342 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 pttm . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -59.03 -34.57 72.06 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.396 -1.44 . . . . 0.0 113.018 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.67 -59.09 5.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.689 0.796 . . . . 0.0 111.623 169.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -53.6 -40.66 65.87 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -66.24 -48.47 70.43 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.02 0.827 . . . . 0.0 112.351 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -63.09 -43.24 99.05 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.09 0.556 . . . . 0.0 111.399 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.25 -35.14 76.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.929 1.292 . . . . 0.0 112.495 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.536 -1.353 . . . . 0.0 111.45 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.81 71.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.849 1.26 . . . . 0.0 114.296 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.7 p -70.15 -14.03 62.46 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.684 1.194 . . . . 0.0 113.141 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.97 26.54 18.94 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.998 1.285 . . . . 0.0 113.763 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -114.07 62.1 1.09 Allowed Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 127.535 2.334 . . . . 0.0 112.555 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -64.19 -26.16 64.9 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 122.586 2.191 . . . . 0.0 112.535 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -57.83 -36.63 72.53 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -80.26 -34.57 36.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.204 -0.935 . . . . 0.0 110.485 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.21 96.62 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.722 -0.611 . . . . 0.0 111.715 169.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.03 -34.23 77.53 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.25 -0.906 . . . . 0.0 112.962 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -37.34 68.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.19 0.904 . . . . 0.0 112.326 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -39.07 71.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.575 0.625 . . . . 0.0 112.556 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -18.17 64.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.669 0.788 . . . . 0.0 112.217 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -93.14 37.45 1.03 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.676 1.99 . . . . 0.0 111.721 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -56.78 1.99 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.631 1.972 . . . . 0.0 114.803 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.47 -24.26 67.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.151 1.78 . . . . 0.0 112.19 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.42 149.53 29.17 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.032 1.333 . . . . 0.0 112.062 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.29 143.81 20.09 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.456 2.77 . . . . 0.0 111.202 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.23 167.07 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 O-C-N 121.428 -0.795 . . . . 0.0 111.642 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -82.16 99.88 9.5 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.552 -0.717 . . . . 0.0 110.28 168.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.19 -32.48 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 121.267 -0.896 . . . . 0.0 110.657 168.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -54.8 -43.59 73.02 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.64 -41.99 87.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.246 1.018 . . . . 0.0 112.279 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -52.17 60.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.073 0.549 . . . . 0.0 110.617 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -38.6 71.53 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.002 1.721 . . . . 0.0 112.044 173.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -38.46 91.07 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.069 1.347 . . . . 0.0 113.668 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.58 -29.76 69.2 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.613 0.765 . . . . 0.0 112.551 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -125.21 49.76 1.85 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.183 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.35 31.89 0.18 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.242 1.417 . . . . 0.0 111.95 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -123.01 -14.73 7.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.507 1.923 . . . . 0.0 113.227 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.28 165.9 11.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.811 1.644 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 p30 -69.04 160.61 30.67 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 122.513 1.149 . . . . 0.0 113.654 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -17.73 60.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.714 171.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.72 71.44 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.919 1.236 . . . . 0.0 112.31 172.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.12 90.81 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.547 -0.721 . . . . 0.0 111.203 171.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.6 mm -60.44 -38.29 77.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-O 117.557 -1.211 . . . . 0.0 111.412 170.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.64 -43.63 98.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 122.604 2.456 . . . . 0.0 111.718 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.41 85.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.967 0.803 . . . . 0.0 112.033 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 tp -70.53 -51.16 30.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.4 t -52.05 -43.3 63.73 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 126.116 1.766 . . . . 0.0 112.269 166.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -61.3 -55.0 36.79 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.508 1.958 . . . . 0.0 112.416 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -62.03 -43.67 98.35 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.625 0.648 . . . . 0.0 111.396 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.1 mt -70.36 -31.09 68.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.347 1.059 . . . . 0.0 113.42 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -67.84 -33.51 74.91 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 120.467 -1.395 . . . . 0.0 112.092 167.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -60.53 -37.81 82.38 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.356 1.434 . . . . 0.0 111.474 170.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -45.7 74.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.933 0.893 . . . . 0.0 111.703 173.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.87 -44.1 97.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.464 0.706 . . . . 0.0 112.226 172.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -42.47 91.56 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.696 1.599 . . . . 0.0 111.209 176.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.1 -34.62 76.74 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.053 0.842 . . . . 0.0 112.001 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.02 91.91 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.72 1.208 . . . . 0.0 113.91 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.03 57.93 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.125 1.77 . . . . 0.0 111.14 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -73.49 44.95 0.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 127.174 2.19 . . . . 0.0 114.637 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--O 1.256 1.403 0 C-N-CA 128.849 2.86 . . . . 0.0 113.37 -175.113 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 tttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 117.153 -1.403 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.66 -36.49 67.12 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 121.58 1.991 . . . . 0.0 113.759 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.84 -55.11 36.89 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.984 -0.447 . . . . 0.0 111.471 171.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.68 -40.87 63.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.786 0.834 . . . . 0.0 112.571 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.83 -49.01 79.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.844 1.202 . . . . 0.0 112.368 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -68.72 -43.48 75.87 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.739 -0.6 . . . . 0.0 112.151 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.86 -38.79 86.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.706 1.202 . . . . 0.0 112.239 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.79 91.1 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.499 -1.376 . . . . 0.0 111.344 171.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.13 -37.96 81.67 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.1 p -71.82 -12.35 61.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.639 1.175 . . . . 0.0 113.123 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.36 26.96 19.45 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.986 1.279 . . . . 0.0 114.08 177.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -114.64 66.99 1.81 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.191 2.196 . . . . 0.0 112.632 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.19 -28.12 56.25 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.995 2.464 . . . . 0.0 112.876 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -56.52 -33.08 65.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -85.25 -27.48 26.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.355 -0.841 . . . . 0.0 111.89 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.1 95.35 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.086 -1.009 . . . . 0.0 111.811 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -63.53 -33.94 76.7 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.908 0.883 . . . . 0.0 112.797 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.01 -38.04 72.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.486 0.715 . . . . 0.0 111.635 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -48.71 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.949 0.795 . . . . 0.0 111.53 173.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.88 -16.55 43.08 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.429 1.091 . . . . 0.0 112.902 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.43 46.19 1.27 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.439 1.895 . . . . 0.0 112.079 170.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.12 -8.3 0.66 Allowed 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.386 -1.446 . . . . 0.0 114.422 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.15 -38.63 71.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.974 2.51 . . . . 0.0 113.082 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -152.62 148.44 20.71 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.989 1.316 . . . . 0.0 112.127 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.12 153.6 28.53 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.278 2.652 . . . . 0.0 110.762 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.03 167.83 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.888 0.852 . . . . 0.0 112.168 -176.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -75.3 97.46 3.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.482 165.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.3 -31.17 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.373 -0.83 . . . . 0.0 110.661 167.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -51.47 -45.48 62.76 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.652 -0.655 . . . . 0.0 112.311 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.88 -42.87 94.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.813 0.733 . . . . 0.0 111.844 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -42.73 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.121 0.873 . . . . 0.0 111.656 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -32.53 71.95 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -76.27 -39.48 54.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.29 1.036 . . . . 0.0 112.72 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.71 -35.46 65.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.755 0.822 . . . . 0.0 111.645 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -101.58 33.24 3.03 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.572 1.149 . . . . 0.0 111.937 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -11.77 36.69 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 120.485 -1.384 . . . . 0.0 113.626 173.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -62.82 -15.26 53.36 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.548 1.539 . . . . 0.0 114.594 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -116.72 159.36 22.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.935 1.694 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -67.19 158.37 31.47 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.535 0.683 . . . . 0.0 112.681 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -19.25 58.88 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 171.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.46 99.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.341 1.056 . . . . 0.0 112.899 169.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.18 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.337 172.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.78 -34.15 36.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 CA-C-O 117.479 -1.248 . . . . 0.0 112.11 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.01 -48.81 80.16 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.566 2.439 . . . . 0.0 112.519 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.09 -37.73 78.6 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.779 0.718 . . . . 0.0 112.395 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -55.38 13.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.931 1.293 . . . . 0.0 111.423 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.9 -42.37 62.68 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 126.494 1.917 . . . . 0.0 111.675 167.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -59.45 -52.19 66.66 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.88 1.673 . . . . 0.0 112.28 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -61.47 -49.61 76.12 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.843 0.747 . . . . 0.0 111.227 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.99 -33.8 75.0 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.26 -36.17 82.3 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.156 1.383 . . . . 0.0 112.646 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -58.04 -36.95 73.47 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.534 1.515 . . . . 0.0 111.021 169.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.06 -46.03 62.71 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.316 0.647 . . . . 0.0 110.865 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.5 -47.17 85.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.82 0.848 . . . . 0.0 111.181 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -43.95 88.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.797 1.639 . . . . 0.0 111.799 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.9 t -66.79 -38.91 87.45 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.814 0.733 . . . . 0.0 112.202 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.03 89.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.821 1.249 . . . . 0.0 113.714 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.37 55.8 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.791 1.636 . . . . 0.0 111.913 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -60.86 116.0 4.12 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.565 -0.709 . . . . 0.0 111.094 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.025 1.33 . . . . 0.0 111.371 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.87 -35.88 66.98 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.812 1.187 . . . . 0.0 113.884 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.77 28.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.035 -0.415 . . . . 0.0 111.801 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.9 t -52.25 -42.42 63.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.266 1.026 . . . . 0.0 112.638 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.16 -50.38 73.91 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.764 1.165 . . . . 0.0 112.602 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -69.48 -41.86 75.59 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.883 -0.511 . . . . 0.0 112.099 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.82 -39.07 90.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.396 1.078 . . . . 0.0 112.375 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.66 89.49 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.785 -1.197 . . . . 0.0 110.872 171.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.54 91.37 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.7 p -72.54 -12.52 61.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.585 1.154 . . . . 0.0 113.076 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.1 26.05 20.07 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.826 1.203 . . . . 0.0 114.033 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.2 64.95 0.73 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.781 2.433 . . . . 0.0 111.469 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -62.02 -27.88 79.87 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.384 2.056 . . . . 0.0 111.857 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.63 -47.32 58.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.603 1.561 . . . . 0.0 113.438 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -77.49 -38.04 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.622 1.101 . . . . 0.0 111.751 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.66 83.93 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.238 0.615 . . . . 0.0 112.017 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -69.25 -41.75 76.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.822 1.249 . . . . 0.0 112.373 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.39 -29.97 62.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.176 0.99 . . . . 0.0 111.43 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -55.83 -41.81 74.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.947 -1.096 . . . . 0.0 113.76 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.0 -25.18 68.27 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.224 -0.923 . . . . 0.0 111.782 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.65 37.1 0.63 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.398 2.279 . . . . 0.0 112.306 173.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -57.28 -6.95 0.47 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.592 1.557 . . . . 0.0 114.284 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 ' H ' HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -62.42 -13.07 25.68 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 120.347 -1.47 . . . . 0.0 112.724 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -140.93 150.76 60.54 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.05 1.74 . . . . 0.0 111.75 168.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.96 139.05 19.04 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.988 2.459 . . . . 0.0 110.512 165.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.57 169.51 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 C-N-CA 125.538 1.535 . . . . 0.0 110.269 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -102.11 94.29 5.68 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.456 -1.402 . . . . 0.0 111.243 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.3 mm -53.7 -40.49 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.696 0.799 . . . . 0.0 111.069 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -58.76 -41.01 85.59 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.34 -0.85 . . . . 0.0 112.872 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.9 tp -72.88 -38.48 66.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.246 0.619 . . . . 0.0 111.441 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -41.39 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.403 1.081 . . . . 0.0 112.22 172.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -63.7 -22.32 66.84 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.644 1.578 . . . . 0.0 114.722 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -94.24 -44.02 8.16 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.52 1.128 . . . . 0.0 112.334 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.87 -34.66 76.4 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.947 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -118.8 33.79 5.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.568 1.547 . . . . 0.0 111.315 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.58 -4.87 9.57 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.576 -1.327 . . . . 0.0 113.678 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -64.76 -15.73 61.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.586 1.554 . . . . 0.0 114.052 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -116.18 160.03 20.96 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.201 1.801 . . . . 0.0 111.724 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.89 156.61 30.42 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.528 1.131 . . . . 0.0 112.405 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -60.68 -24.66 65.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.45 -43.63 93.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.405 1.082 . . . . 0.0 113.035 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.85 -46.6 68.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.32 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.25 -35.4 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.929 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.75 -51.39 69.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 122.38 2.354 . . . . 0.0 111.471 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.92 89.06 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.51 -0.744 . . . . 0.0 112.344 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -48.23 79.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.999 0.919 . . . . 0.0 111.821 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.3 t -54.74 -42.9 72.16 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 127.111 2.164 . . . . 0.0 110.992 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -46.98 86.22 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.208 0.913 . . . . 0.0 112.543 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -45.57 83.96 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.45 -29.31 68.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -69.94 -32.72 71.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.468 -1.395 . . . . 0.0 112.757 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 m -60.38 -38.35 83.67 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.963 1.256 . . . . 0.0 111.245 168.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -41.43 85.62 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.632 0.773 . . . . 0.0 111.511 173.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.81 -46.67 89.62 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.103 0.865 . . . . 0.0 112.159 170.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -55.32 -45.52 76.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.391 1.076 . . . . 0.0 110.825 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.5 t -67.48 -35.89 80.04 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 118.694 0.679 . . . . 0.0 112.775 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.48 87.51 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.7 m -132.63 58.71 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.909 1.684 . . . . 0.0 111.044 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.3 mtp -63.29 82.19 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.495 1.518 . . . . 0.0 112.32 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 pttp . . . . . 0 C--O 1.251 1.177 0 C-N-CA 124.771 1.228 . . . . 0.0 113.523 173.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.1 mttt . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -39.13 71.9 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 121.711 2.05 . . . . 0.0 113.05 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.37 3.56 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.216 171.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.09 -37.7 47.35 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.4 -49.14 72.71 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.208 0.913 . . . . 0.0 111.734 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -65.99 -43.21 88.42 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.927 -0.483 . . . . 0.0 111.673 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.13 -37.06 76.33 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.82 1.248 . . . . 0.0 112.39 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -74.31 -37.03 63.72 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.692 -1.255 . . . . 0.0 111.945 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.28 83.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.725 1.21 . . . . 0.0 114.171 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 p -70.83 -12.06 61.32 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.734 1.214 . . . . 0.0 113.063 172.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.12 25.63 23.79 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.061 1.315 . . . . 0.0 113.945 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -114.77 66.41 1.79 Allowed Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.813 2.045 . . . . 0.0 112.764 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -64.24 -25.89 64.6 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.888 2.392 . . . . 0.0 112.758 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -57.11 -35.81 69.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -83.31 -34.58 25.68 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.334 -0.854 . . . . 0.0 111.248 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.1 87.62 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 122.776 0.43 . . . . 0.0 111.731 168.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -64.47 -34.36 78.02 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.141 -0.974 . . . . 0.0 112.972 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -37.75 67.68 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.581 1.082 . . . . 0.0 112.136 173.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -40.88 80.02 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.727 0.694 . . . . 0.0 112.719 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.29 -18.34 65.23 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.399 -0.813 . . . . 0.0 111.811 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.74 37.12 1.01 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.81 2.044 . . . . 0.0 112.212 173.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -55.74 -0.96 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.094 1.758 . . . . 0.0 114.971 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -63.52 -26.86 68.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.796 1.638 . . . . 0.0 112.33 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.6 150.53 31.12 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.39 1.476 . . . . 0.0 112.102 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.39 145.04 20.87 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.089 2.526 . . . . 0.0 111.434 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.03 165.92 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.842 0.857 . . . . 0.0 112.274 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.77 96.65 8.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.828 0.851 . . . . 0.0 110.587 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.7 mm -56.69 -31.82 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.235 -0.915 . . . . 0.0 111.266 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -52.37 -34.55 48.17 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.066 1.346 . . . . 0.0 113.901 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -43.95 66.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.534 0.606 . . . . 0.0 111.077 172.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -37.9 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.823 0.738 . . . . 0.0 112.377 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -39.97 89.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.942 0.897 . . . . 0.0 113.032 172.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -74.38 -43.8 54.87 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.752 0.821 . . . . 0.0 112.936 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.68 -29.21 69.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.309 1.044 . . . . 0.0 112.437 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -123.94 42.82 3.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 111.701 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.76 -11.99 14.83 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.865 -1.147 . . . . 0.0 113.603 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -17.63 64.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 114.315 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 pp -119.84 143.26 47.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.25 169.84 8.1 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.891 1.277 . . . . 0.0 113.168 -172.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -29.82 58.26 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.398 -1.287 . . . . 0.0 112.991 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.3 -40.01 92.59 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.479 1.945 . . . . 0.0 114.226 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.94 -49.49 24.39 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.545 -0.722 . . . . 0.0 110.519 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -54.7 -33.2 27.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.34 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.02 -52.92 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 121.346 1.885 . . . . 0.0 110.902 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.51 95.62 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.196 0.907 . . . . 0.0 111.919 174.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.19 -58.44 7.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.403 1.481 . . . . 0.0 111.231 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.47 -37.55 62.78 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 126.966 2.106 . . . . 0.0 112.642 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -51.29 55.84 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.577 1.535 . . . . 0.0 111.551 177.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.26 -44.2 97.64 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.558 0.617 . . . . 0.0 111.678 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.09 -29.59 66.61 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -69.2 -32.24 71.38 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 120.422 -1.424 . . . . 0.0 111.997 168.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -59.63 -34.53 72.9 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.96 1.255 . . . . 0.0 111.806 169.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -43.85 65.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.849 0.86 . . . . 0.0 111.414 174.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.6 -43.24 97.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.226 0.61 . . . . 0.0 111.982 171.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -46.29 85.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.928 1.291 . . . . 0.0 111.116 173.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.85 -35.6 81.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.776 0.717 . . . . 0.0 112.004 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.48 83.9 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.62 49.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.751 1.22 . . . . 0.0 112.654 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.5 mtm -59.88 99.0 0.06 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.318 1.047 . . . . 0.0 112.17 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.709 1.604 . . . . 0.0 112.802 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.68 -35.68 66.3 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 121.76 2.073 . . . . 0.0 114.162 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.52 12.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.13 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.0 t -51.66 -43.84 62.81 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.953 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.76 -47.17 84.69 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.914 0.779 . . . . 0.0 112.533 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.614 -0.679 . . . . 0.0 112.339 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.42 -39.04 82.23 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.564 1.145 . . . . 0.0 111.758 174.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -41.66 90.96 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.3 -0.875 . . . . 0.0 112.149 170.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -41.33 70.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -68.9 -22.6 64.17 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.023 0.829 . . . . 0.0 112.693 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.08 28.63 7.19 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.71 1.148 . . . . 0.0 113.935 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -114.34 62.21 1.19 Allowed Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.799 2.04 . . . . 0.0 112.365 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -64.84 -23.9 61.88 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.938 2.425 . . . . 0.0 112.651 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -32.48 59.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 170.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -88.88 -26.46 21.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.85 0.86 . . . . 0.0 111.737 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.68 85.28 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.971 -1.081 . . . . 0.0 111.46 167.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -29.47 70.79 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.84 0.856 . . . . 0.0 113.005 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.85 -35.01 75.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.814 1.245 . . . . 0.0 111.773 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -43.02 97.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.423 0.689 . . . . 0.0 111.903 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -19.55 63.75 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.508 -0.745 . . . . 0.0 111.796 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -91.15 35.64 0.92 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.46 1.904 . . . . 0.0 112.997 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -54.79 -3.61 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.327 1.851 . . . . 0.0 115.871 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.13 -29.63 67.54 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.285 1.834 . . . . 0.0 113.053 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -152.72 152.28 28.28 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.426 1.491 . . . . 0.0 111.936 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -79.78 150.7 21.39 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.003 2.469 . . . . 0.0 110.894 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.21 170.13 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.756 0.822 . . . . 0.0 111.349 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.84 103.37 11.47 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.363 -0.835 . . . . 0.0 110.747 165.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.9 mm -53.82 -28.3 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.533 -0.73 . . . . 0.0 111.254 168.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -50.58 -41.7 54.82 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.423 0.689 . . . . 0.0 112.424 173.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.42 -43.28 91.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.509 1.049 . . . . 0.0 111.974 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -46.52 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.148 0.579 . . . . 0.0 111.108 174.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -28.57 64.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.797 1.639 . . . . 0.0 112.979 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -74.98 -43.76 52.12 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.849 1.204 . . . . 0.0 112.227 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.55 -33.51 69.2 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.304 0.502 . . . . 0.0 111.901 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -104.42 29.42 6.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.927 0.891 . . . . 0.0 112.257 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.74 -8.29 41.64 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.765 -1.21 . . . . 0.0 112.534 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -65.91 -34.11 77.37 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.37 1.068 . . . . 0.0 113.25 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 pp -89.39 164.73 14.75 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.505 1.122 . . . . 0.0 111.858 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.47 151.56 44.99 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -21.72 62.97 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -36.45 82.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.938 1.244 . . . . 0.0 113.787 170.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.35 -38.0 68.7 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.463 1.029 . . . . 0.0 110.701 168.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -58.75 -35.33 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.383 1.447 . . . . 0.0 112.174 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.3 -51.28 70.22 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 122.484 2.402 . . . . 0.0 112.085 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.17 95.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.389 0.995 . . . . 0.0 111.946 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.65 -52.43 38.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.996 0.918 . . . . 0.0 111.668 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -53.54 -45.32 69.78 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.66 1.584 . . . . 0.0 111.742 168.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -49.59 76.82 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.562 1.528 . . . . 0.0 112.465 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.97 -40.78 87.54 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.826 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HA ' ' HG ' ' A' ' 53' ' ' LEU . 1.3 mp -73.12 -30.87 63.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.597 0.759 . . . . 0.0 112.423 178.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -62.68 -36.28 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.673 1.189 . . . . 0.0 111.989 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -31.85 68.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.404 1.002 . . . . 0.0 112.268 171.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' HG ' ' HA ' ' A' ' 50' ' ' LEU . 3.7 mt -74.05 -44.43 54.29 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 110.874 175.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.83 -37.51 79.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.334 0.654 . . . . 0.0 112.247 171.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -42.51 91.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.898 1.279 . . . . 0.0 112.003 173.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.4 t -65.24 -38.34 90.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.537 1.062 . . . . 0.0 111.851 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.06 83.8 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 113.541 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.17 70.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.494 2.318 . . . . 0.0 108.653 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.1 mtt -72.65 99.29 2.53 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.349 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.147 1.779 . . . . 0.0 111.045 179.205 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 118.035 -0.983 . . . . 0.0 112.403 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -37.71 70.99 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.552 1.524 . . . . 0.0 113.874 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.58 -57.97 9.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 119.25 -0.405 . . . . 0.0 111.167 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 t -48.53 -40.29 26.36 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.252 1.021 . . . . 0.0 112.859 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.1 -48.29 82.34 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.768 1.167 . . . . 0.0 112.201 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -69.78 -41.0 75.69 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.668 -0.645 . . . . 0.0 112.27 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.68 -41.92 96.09 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.12 1.368 . . . . 0.0 111.453 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.51 87.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.363 1.465 . . . . 0.0 112.067 171.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.78 83.06 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 t -68.18 -19.73 64.81 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.27 -0.894 . . . . 0.0 112.596 171.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.21 28.84 8.32 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.792 1.187 . . . . 0.0 113.888 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -114.71 68.78 2.06 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.035 2.134 . . . . 0.0 112.13 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -65.7 -23.89 55.68 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.657 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -55.87 -36.38 67.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -83.11 -30.96 27.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.553 -0.717 . . . . 0.0 111.699 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.23 93.87 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.302 -0.874 . . . . 0.0 112.001 169.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -63.15 -37.23 86.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.355 1.062 . . . . 0.0 112.226 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.87 -33.02 68.25 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.478 1.111 . . . . 0.0 112.477 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -40.5 83.54 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.153 -0.967 . . . . 0.0 112.703 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.68 -16.98 63.66 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.097 -1.002 . . . . 0.0 111.912 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -85.06 28.07 0.73 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.781 2.033 . . . . 0.0 112.703 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -51.52 -6.3 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.076 2.15 . . . . 0.0 115.724 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.3 -28.81 67.11 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.166 1.787 . . . . 0.0 112.936 172.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -151.91 152.29 29.69 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.911 1.284 . . . . 0.0 112.833 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.8 142.87 12.91 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.262 2.641 . . . . 0.0 110.949 170.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.96 170.12 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.673 1.589 . . . . 0.0 111.61 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -85.58 99.5 11.3 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.563 168.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.92 -29.77 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.14 -0.975 . . . . 0.0 112.194 169.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -50.14 -33.87 20.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.519 1.128 . . . . 0.0 113.525 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 tp -73.95 -38.31 64.28 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.624 0.647 . . . . 0.0 111.862 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -39.25 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.366 -0.834 . . . . 0.0 112.334 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.34 68.09 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 171.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -88.2 -46.29 9.38 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.457 1.026 . . . . 0.0 113.046 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.57 -38.86 82.26 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.054 0.942 . . . . 0.0 111.289 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -119.75 66.06 0.81 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.76 1.624 . . . . 0.0 107.956 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -88.39 -5.6 58.2 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.122 1.369 . . . . 0.0 112.128 168.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -69.01 -36.47 77.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.8 1.24 . . . . 0.0 113.511 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -179.21 2.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.087 2.155 . . . . 0.0 112.814 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -90.44 155.75 18.7 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.928 -1.107 . . . . 0.0 112.733 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.97 -21.15 60.86 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -49.36 78.15 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 112.825 168.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -36.38 75.03 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.984 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.14 -36.86 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.077 -1.44 . . . . 0.0 112.637 168.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -47.46 74.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.965 2.166 . . . . 0.0 111.598 177.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -36.14 36.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.052 0.941 . . . . 0.0 113.319 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.64 -50.51 70.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.951 1.7 . . . . 0.0 109.745 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -57.87 -40.21 79.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 125.078 1.351 . . . . 0.0 111.834 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -52.7 63.36 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.494 1.952 . . . . 0.0 112.429 176.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.03 -47.77 83.28 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.231 0.612 . . . . 0.0 111.928 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.5 -31.96 72.44 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.904 0.775 . . . . 0.0 112.265 176.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -62.39 -34.25 76.35 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.143 -1.598 . . . . 0.0 110.78 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -61.62 -37.1 82.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.58 1.082 . . . . 0.0 112.916 170.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -44.94 76.96 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.82 0.848 . . . . 0.0 111.336 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -62.65 -45.91 90.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.241 1.016 . . . . 0.0 112.518 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -41.59 93.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.423 1.489 . . . . 0.0 111.961 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 11.6 t -67.94 -35.14 77.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.682 0.673 . . . . 0.0 111.547 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.75 92.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.45 55.38 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.637 1.575 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.18 73.86 0.48 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.717 1.607 . . . . 0.0 112.695 176.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.256 1.399 0 C-N-CA 126.399 1.88 . . . . 0.0 114.489 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.502 2.133 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.3 -31.13 72.2 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 120.005 1.275 . . . . 0.0 114.139 -165.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.95 35.28 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.168 -0.957 . . . . 0.0 111.483 167.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -49.6 -40.35 38.63 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.206 1.402 . . . . 0.0 113.054 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.73 -47.5 84.39 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.525 -0.735 . . . . 0.0 112.243 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -67.8 -42.79 81.03 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.509 -1.369 . . . . 0.0 111.925 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.0 -30.23 71.44 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.818 1.247 . . . . 0.0 111.533 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -31.14 29.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 0.0 111.343 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.57 75.58 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.025 1.33 . . . . 0.0 113.678 170.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.7 p -79.45 -12.8 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 24.39 24.11 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 124.346 0.974 . . . . 0.0 114.379 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -117.71 62.5 3.91 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.981 1.312 . . . . 0.0 112.966 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -59.55 -25.92 80.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.097 1.864 . . . . 0.0 112.637 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -47.44 -39.06 14.79 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 166.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -80.87 -36.95 30.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 122.988 0.515 . . . . 0.0 111.658 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.33 74.13 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 120.72 -1.238 . . . . 0.0 111.889 170.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -26.9 67.12 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 117.792 -1.099 . . . . 0.0 113.266 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -28.69 64.05 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.975 1.261 . . . . 0.0 113.161 175.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -37.27 86.89 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 121.01 -1.056 . . . . 0.0 111.238 171.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.58 -10.25 54.66 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.909 -1.119 . . . . 0.0 111.379 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -100.57 34.25 2.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.952 1.301 . . . . 0.0 112.066 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -53.09 -5.27 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 127.01 2.124 . . . . 0.0 115.298 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.82 -24.08 66.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.616 2.366 . . . . 0.0 113.261 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.77 151.34 24.81 Favored Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 125.457 1.503 . . . . 0.0 113.457 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -78.95 132.95 10.88 Favored 'Trans proline' 0 C--N 1.363 1.34 0 C-N-CA 121.895 1.73 . . . . 0.0 112.568 168.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.08 157.33 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.059 1.744 . . . . 0.0 112.98 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -76.75 113.51 14.49 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.135 0.88 . . . . 0.0 111.332 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 mm -55.64 -34.0 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 120.978 -1.076 . . . . 0.0 110.361 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -37.63 44.96 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.777 1.231 . . . . 0.0 113.531 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.42 97.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.319 0.647 . . . . 0.0 111.145 176.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.2 67.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.753 0.821 . . . . 0.0 111.985 172.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -27.98 69.54 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.139 1.336 . . . . 0.0 111.034 170.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -46.39 17.67 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.323 1.874 . . . . 0.0 111.813 172.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.12 -35.26 78.2 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.109 -0.995 . . . . 0.0 111.939 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -125.11 78.6 1.72 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.81 -11.13 27.33 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.502 1.121 . . . . 0.0 113.563 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -66.72 -30.7 71.0 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.454 -2.029 . . . . 0.0 114.49 -174.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 179.21 7.55 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 126.57 1.948 . . . . 0.0 113.491 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -85.71 157.14 20.37 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.57 -1.331 . . . . 0.0 112.932 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -22.92 62.44 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 171.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -42.09 99.6 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.984 -1.072 . . . . 0.0 112.964 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.82 -35.88 67.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.532 0.605 . . . . 0.0 111.22 172.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.8 mm -56.78 -37.82 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.484 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -57.45 -42.12 81.87 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 122.274 2.306 . . . . 0.0 112.582 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.77 -39.91 50.06 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.79 -51.2 65.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.224 1.41 . . . . 0.0 110.138 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -57.21 -50.35 73.15 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 125.452 1.501 . . . . 0.0 111.481 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -48.79 73.43 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.373 1.897 . . . . 0.0 112.088 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -52.63 59.14 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.41 -28.15 68.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 120.166 1.348 . . . . 0.0 111.917 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -73.55 -30.62 63.17 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 119.202 -2.186 . . . . 0.0 113.11 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -59.4 -32.34 70.08 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.323 0.965 . . . . 0.0 113.083 165.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.69 -42.2 74.41 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.653 0.781 . . . . 0.0 111.567 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.7 -40.73 79.88 Favored 'General case' 0 CA--C 1.565 1.536 0 O-C-N 121.529 -0.732 . . . . 0.0 112.514 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -42.63 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.842 1.257 . . . . 0.0 111.202 166.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.5 t -65.09 -37.52 87.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 119.452 1.024 . . . . 0.0 113.016 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.59 70.82 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.769 1.228 . . . . 0.0 113.155 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.37 52.42 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.731 1.213 . . . . 0.0 112.186 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.55 110.22 0.94 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.602 -1.311 . . . . 0.0 111.143 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.283 2.828 0 C-N-CA 126.681 1.993 . . . . 0.0 112.494 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.57 -61.45 2.49 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.873 0.869 . . . . 0.0 112.097 167.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.1 m -53.94 -42.11 68.5 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.558 1.072 . . . . 0.0 113.649 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.84 -44.64 76.71 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.308 0.643 . . . . 0.0 112.279 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -66.64 -40.19 88.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.413 0.685 . . . . 0.0 111.507 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.55 -42.05 91.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.129 1.372 . . . . 0.0 111.837 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.62 82.87 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.059 -1.026 . . . . 0.0 112.214 169.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.04 77.69 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -70.02 -24.77 63.33 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.642 1.11 . . . . 0.0 112.8 171.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.55 29.74 4.61 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.464 1.031 . . . . 0.0 113.86 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -115.08 62.65 1.51 Allowed Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 128.353 2.661 . . . . 0.0 111.324 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -62.67 -27.01 75.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.26 1.973 . . . . 0.0 112.354 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -52.97 -43.23 66.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.43 1.492 . . . . 0.0 113.121 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -79.45 -29.03 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.124 -0.985 . . . . 0.0 112.12 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.16 88.58 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.463 -0.773 . . . . 0.0 111.388 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.99 -35.14 77.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 112.127 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 26' ' ' ILE . 6.4 tt -57.01 -29.89 63.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.239 1.016 . . . . 0.0 112.88 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.91 -38.21 78.39 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.219 0.918 . . . . 0.0 112.706 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -68.29 -16.08 63.82 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.345 -0.847 . . . . 0.0 112.132 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -92.75 34.45 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.721 2.008 . . . . 0.0 111.019 174.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -59.0 4.6 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.225 1.81 . . . . 0.0 115.207 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.536 ' H ' HD22 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -67.29 -22.15 65.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.363 -1.461 . . . . 0.0 113.094 175.538 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -149.23 147.45 23.61 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.344 1.458 . . . . 0.0 112.201 171.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -79.4 152.04 23.22 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.187 2.592 . . . . 0.0 110.609 169.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.489 HG21 HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -100.47 161.26 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 121.643 0.735 . . . . 0.0 112.738 -174.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -70.93 87.83 0.74 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.717 0.807 . . . . 0.0 110.551 168.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.6 mm -48.07 -42.5 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.798 1.239 . . . . 0.0 111.159 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 t -61.49 -35.09 76.7 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.43 -44.68 74.45 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.197 -0.939 . . . . 0.0 110.461 172.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.95 -41.48 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.242 0.617 . . . . 0.0 111.581 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -58.9 -24.65 62.58 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.867 1.667 . . . . 0.0 114.575 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -36.22 41.79 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.542 1.519 . . . . 0.0 112.866 168.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.44 -26.0 67.0 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' NE2' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -129.75 31.5 4.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.876 1.27 . . . . 0.0 112.893 177.781 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.05 -11.62 2.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -60.84 -28.63 68.96 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.914 1.686 . . . . 0.0 114.47 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.92 160.76 14.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.373 1.069 . . . . 0.0 113.54 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.23 155.95 39.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.827 0.851 . . . . 0.0 112.62 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -58.07 -14.85 7.47 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -47.05 88.25 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.808 1.185 . . . . 0.0 113.248 167.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.05 -25.83 39.97 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.06 -46.77 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.517 163.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.81 -44.36 90.81 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 121.059 1.754 . . . . 0.0 112.531 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.23 66.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.689 0.677 . . . . 0.0 111.799 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.499 HD22 ' NE2' ' A' ' 35' ' ' HIS . 2.9 tp -60.87 -47.34 86.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.539 0.736 . . . . 0.0 112.121 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.6 m -57.0 -45.51 82.98 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 125.032 1.333 . . . . 0.0 111.469 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -46.31 84.93 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 121.09 1.768 . . . . 0.0 111.81 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -69.02 -47.53 65.21 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 53' ' ' LEU . 87.8 mt -68.22 -30.41 69.47 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 112.725 176.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.31 -29.36 64.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.116 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.2 m -60.92 -42.26 97.74 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.587 1.994 . . . . 0.0 111.297 166.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -64.54 -46.82 81.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.755 0.822 . . . . 0.0 111.857 175.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.77 -42.45 99.7 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.564 0.746 . . . . 0.0 112.62 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -40.26 75.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.954 1.701 . . . . 0.0 111.358 175.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.57 -37.21 71.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.435 0.694 . . . . 0.0 111.612 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.58 84.34 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.598 1.159 . . . . 0.0 113.793 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.3 m -132.52 52.99 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.73 1.612 . . . . 0.0 112.068 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.33 62.78 0.06 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.885 2.074 . . . . 0.0 114.85 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mttt . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.062 1.745 . . . . 0.0 113.141 171.607 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.42 -57.99 10.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.956 0.903 . . . . 0.0 111.742 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -54.23 -39.9 67.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 112.474 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.49 -49.22 77.65 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.696 1.134 . . . . 0.0 111.976 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -64.7 -45.66 85.66 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.945 -0.472 . . . . 0.0 111.959 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.97 -39.99 91.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.955 1.302 . . . . 0.0 112.379 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -40.08 92.47 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.574 -1.328 . . . . 0.0 111.48 173.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.05 76.15 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 p -72.31 -14.04 61.65 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.261 1.024 . . . . 0.0 113.353 173.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.55 26.96 12.27 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.783 1.183 . . . . 0.0 113.95 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -112.57 67.67 0.95 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.279 2.232 . . . . 0.0 111.671 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.45 -29.5 71.45 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.812 2.341 . . . . 0.0 112.015 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -51.85 -45.86 64.18 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.329 1.452 . . . . 0.0 113.544 170.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -79.36 -38.88 33.97 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.515 -0.741 . . . . 0.0 111.099 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.7 76.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.791 0.836 . . . . 0.0 112.141 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -72.78 -36.1 67.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.955 1.302 . . . . 0.0 112.895 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -37.8 62.4 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.199 0.909 . . . . 0.0 111.68 172.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -38.82 64.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 174.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -19.88 64.91 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.981 178.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.8 34.93 1.05 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.3 2.24 . . . . 0.0 111.854 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -56.27 0.06 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.094 1.758 . . . . 0.0 115.102 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.95 -24.85 59.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.299 1.839 . . . . 0.0 112.801 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -144.8 146.12 30.42 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 111.649 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -78.96 152.72 24.93 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.136 2.558 . . . . 0.0 111.869 168.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.71 165.7 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.746 1.218 . . . . 0.0 111.786 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.94 101.19 13.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.666 -0.646 . . . . 0.0 110.604 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -54.56 -39.54 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.98 0.912 . . . . 0.0 110.524 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -56.53 -34.0 66.61 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.284 1.034 . . . . 0.0 113.395 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -41.05 63.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.795 0.838 . . . . 0.0 111.339 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.82 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 112.326 172.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -25.19 64.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 113.319 171.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -86.75 -44.63 11.63 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.556 1.071 . . . . 0.0 111.98 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -61.35 -37.3 82.83 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.477 0.711 . . . . 0.0 112.117 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.678 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.2 m80 -114.83 46.73 1.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.674 1.59 . . . . 0.0 109.92 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -71.62 -10.69 60.15 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -71.67 -23.09 61.6 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.634 1.574 . . . . 0.0 114.736 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.744 HD21 HG12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -80.1 -173.22 3.84 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.34 1.856 . . . . 0.0 112.759 -178.344 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.23 159.4 15.58 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.175 -0.953 . . . . 0.0 112.724 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.27 -23.6 37.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.54 -46.51 88.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.831 0.852 . . . . 0.0 112.843 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.77 72.12 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 117.342 -1.314 . . . . 0.0 110.506 172.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.744 HG12 HD21 ' A' ' 38' ' ' LEU . 30.7 mm -56.88 -32.64 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.541 1.519 . . . . 0.0 113.345 173.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.02 -49.56 75.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 122.003 2.183 . . . . 0.0 111.682 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.73 80.22 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.462 -0.774 . . . . 0.0 112.57 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tp -64.73 -50.72 65.77 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 125.71 1.604 . . . . 0.0 111.156 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.04 -45.76 86.45 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.247 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.82 -49.39 77.91 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.084 1.766 . . . . 0.0 112.205 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 mmt-85 -66.87 -50.25 63.07 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.756 0.822 . . . . 0.0 111.832 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.81 -31.06 71.44 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.977 -1.077 . . . . 0.0 113.126 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.28 -39.57 92.77 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 120.577 -1.327 . . . . 0.0 110.987 167.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -57.46 -36.87 71.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.766 1.166 . . . . 0.0 111.978 170.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -44.09 86.15 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.837 0.744 . . . . 0.0 111.668 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.11 -44.16 96.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.214 0.605 . . . . 0.0 112.241 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -41.86 96.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.212 1.405 . . . . 0.0 111.572 175.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.15 -34.93 75.75 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.016 0.825 . . . . 0.0 111.826 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.29 93.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.531 1.132 . . . . 0.0 113.681 172.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.26 54.78 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.151 1.38 . . . . 0.0 112.068 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -71.94 61.64 0.42 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.707 2.003 . . . . 0.0 113.89 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.634 1.573 . . . . 0.0 113.626 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 N--CA 1.485 1.277 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -57.01 14.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.969 -0.457 . . . . 0.0 111.312 172.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.53 -40.89 62.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.081 0.952 . . . . 0.0 112.674 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -62.53 -49.36 75.64 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.681 1.128 . . . . 0.0 112.083 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -67.02 -43.01 83.95 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.804 -0.56 . . . . 0.0 111.836 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.29 -39.31 92.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 112.342 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.76 98.08 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.513 -1.367 . . . . 0.0 111.131 171.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.81 80.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -72.57 -13.02 61.3 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.534 1.133 . . . . 0.0 113.079 173.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.02 26.43 16.45 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.076 1.322 . . . . 0.0 114.143 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -114.18 63.5 1.24 Allowed Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 127.328 2.251 . . . . 0.0 112.852 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -64.81 -25.36 60.65 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.916 2.411 . . . . 0.0 112.729 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -57.48 -31.23 65.77 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -85.1 -31.28 23.43 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.221 -0.925 . . . . 0.0 111.462 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.17 93.17 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.147 -0.97 . . . . 0.0 111.438 166.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.2 -35.96 82.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.835 0.854 . . . . 0.0 112.748 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.54 HD13 ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -57.34 -35.25 69.66 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.645 1.111 . . . . 0.0 112.164 176.733 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.418 ' CG ' ' HG ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -61.61 -40.03 93.37 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.391 0.615 . . . . 0.0 112.438 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.28 -15.32 59.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.008 0.923 . . . . 0.0 112.319 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.72 35.81 1.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.787 2.035 . . . . 0.0 111.837 175.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -52.36 -3.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.248 2.219 . . . . 0.0 115.596 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.61 -28.39 67.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.704 2.001 . . . . 0.0 112.727 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.11 151.49 34.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.041 1.337 . . . . 0.0 112.274 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -77.83 141.03 18.89 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.234 2.623 . . . . 0.0 111.005 170.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.54 ' CG2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -81.14 169.51 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-O 121.669 0.747 . . . . 0.0 111.917 -179.397 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -87.36 98.76 11.53 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.614 -0.679 . . . . 0.0 110.174 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.0 mm -53.97 -36.04 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.483 -0.761 . . . . 0.0 110.545 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -52.74 -46.08 67.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.677 0.791 . . . . 0.0 112.126 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.91 -40.85 83.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.468 0.707 . . . . 0.0 111.357 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -47.48 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.057 0.844 . . . . 0.0 111.194 174.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -35.93 81.12 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.276 1.83 . . . . 0.0 112.54 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -71.99 -43.83 64.49 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.393 0.997 . . . . 0.0 112.808 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.89 -32.73 71.22 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.597 0.759 . . . . 0.0 111.934 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -109.33 33.55 4.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 111.517 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -6.76 10.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.882 -1.136 . . . . 0.0 113.144 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -62.65 -17.04 59.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.864 1.266 . . . . 0.0 113.943 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -115.06 159.45 20.82 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.978 1.711 . . . . 0.0 111.751 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.6 161.6 30.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.598 0.759 . . . . 0.0 112.627 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 mpp_? -61.13 -27.2 68.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.062 -0.971 . . . . 0.0 113.563 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -33.23 74.97 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.319 1.418 . . . . 0.0 113.895 171.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.69 -47.58 53.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.15 0.886 . . . . 0.0 110.527 168.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.8 mm -56.36 -32.25 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 117.771 -1.109 . . . . 0.0 112.779 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.78 -50.34 71.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 121.847 2.112 . . . . 0.0 111.793 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.49 93.68 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.618 0.645 . . . . 0.0 112.028 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -56.15 17.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.699 1.2 . . . . 0.0 111.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.72 -42.57 65.0 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 126.123 1.769 . . . . 0.0 111.678 170.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.58 80.4 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.192 1.36 . . . . 0.0 112.392 176.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -66.56 -45.32 79.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.731 0.696 . . . . 0.0 112.102 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.5 mt -70.34 -26.22 63.65 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -66.59 -35.19 79.6 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.861 -1.15 . . . . 0.0 111.568 167.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -61.98 -39.1 91.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.956 1.253 . . . . 0.0 111.574 169.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HG ' ' CG ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -65.83 -46.0 80.19 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.934 0.894 . . . . 0.0 111.716 174.591 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.9 -41.81 98.34 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.627 0.771 . . . . 0.0 111.804 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.81 86.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.91 1.284 . . . . 0.0 111.609 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.79 -39.6 91.12 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.658 0.663 . . . . 0.0 112.177 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.15 84.85 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.68 51.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.285 1.434 . . . . 0.0 112.214 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.5 mtt -55.87 111.02 0.82 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.134 0.974 . . . . 0.0 111.968 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.729 2.012 . . . . 0.0 112.209 176.342 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.67 -59.09 5.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.689 0.796 . . . . 0.0 111.623 169.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -53.6 -40.66 65.87 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -66.24 -48.47 70.43 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.02 0.827 . . . . 0.0 112.351 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -63.09 -43.24 99.05 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.09 0.556 . . . . 0.0 111.399 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.25 -35.14 76.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.929 1.292 . . . . 0.0 112.495 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.536 -1.353 . . . . 0.0 111.45 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.81 71.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.849 1.26 . . . . 0.0 114.296 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.7 p -70.15 -14.03 62.46 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.684 1.194 . . . . 0.0 113.141 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.97 26.54 18.94 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.998 1.285 . . . . 0.0 113.763 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -114.07 62.1 1.09 Allowed Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 127.535 2.334 . . . . 0.0 112.555 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -64.19 -26.16 64.9 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 122.586 2.191 . . . . 0.0 112.535 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -57.83 -36.63 72.53 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -80.26 -34.57 36.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.204 -0.935 . . . . 0.0 110.485 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.21 96.62 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.722 -0.611 . . . . 0.0 111.715 169.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.03 -34.23 77.53 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.25 -0.906 . . . . 0.0 112.962 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -55.66 -37.34 68.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.19 0.904 . . . . 0.0 112.326 175.087 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -39.07 71.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.575 0.625 . . . . 0.0 112.556 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -18.17 64.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.669 0.788 . . . . 0.0 112.217 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -93.14 37.45 1.03 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.676 1.99 . . . . 0.0 111.721 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -56.78 1.99 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.631 1.972 . . . . 0.0 114.803 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.47 -24.26 67.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.151 1.78 . . . . 0.0 112.19 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.42 149.53 29.17 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.032 1.333 . . . . 0.0 112.062 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.29 143.81 20.09 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.456 2.77 . . . . 0.0 111.202 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.451 ' CG2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -88.23 167.07 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 O-C-N 121.428 -0.795 . . . . 0.0 111.642 -178.095 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -82.16 99.88 9.5 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.552 -0.717 . . . . 0.0 110.28 168.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.19 -32.48 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 121.267 -0.896 . . . . 0.0 110.657 168.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -54.8 -43.59 73.02 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.64 -41.99 87.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.246 1.018 . . . . 0.0 112.279 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -52.17 60.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.073 0.549 . . . . 0.0 110.617 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -38.6 71.53 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.002 1.721 . . . . 0.0 112.044 173.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -38.46 91.07 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.069 1.347 . . . . 0.0 113.668 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.58 -29.76 69.2 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.613 0.765 . . . . 0.0 112.551 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -125.21 49.76 1.85 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.183 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.35 31.89 0.18 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.242 1.417 . . . . 0.0 111.95 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -123.01 -14.73 7.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.507 1.923 . . . . 0.0 113.227 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.28 165.9 11.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.811 1.644 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 p30 -69.04 160.61 30.67 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 122.513 1.149 . . . . 0.0 113.654 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -17.73 60.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.714 171.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.72 71.44 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.919 1.236 . . . . 0.0 112.31 172.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.12 90.81 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.547 -0.721 . . . . 0.0 111.203 171.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.6 mm -60.44 -38.29 77.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-O 117.557 -1.211 . . . . 0.0 111.412 170.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.64 -43.63 98.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 122.604 2.456 . . . . 0.0 111.718 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.41 85.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.967 0.803 . . . . 0.0 112.033 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 tp -70.53 -51.16 30.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.4 t -52.05 -43.3 63.73 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 126.116 1.766 . . . . 0.0 112.269 166.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -61.3 -55.0 36.79 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.508 1.958 . . . . 0.0 112.416 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -62.03 -43.67 98.35 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.625 0.648 . . . . 0.0 111.396 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' HA ' HD22 ' A' ' 53' ' ' LEU . 70.1 mt -70.36 -31.09 68.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.347 1.059 . . . . 0.0 113.42 175.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -67.84 -33.51 74.91 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 120.467 -1.395 . . . . 0.0 112.092 167.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -60.53 -37.81 82.38 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.356 1.434 . . . . 0.0 111.474 170.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -67.55 -45.7 74.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.933 0.893 . . . . 0.0 111.703 173.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.87 -44.1 97.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.464 0.706 . . . . 0.0 112.226 172.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -42.47 91.56 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.696 1.599 . . . . 0.0 111.209 176.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.1 -34.62 76.74 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.053 0.842 . . . . 0.0 112.001 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.02 91.91 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.72 1.208 . . . . 0.0 113.91 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.03 57.93 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.125 1.77 . . . . 0.0 111.14 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -73.49 44.95 0.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 127.174 2.19 . . . . 0.0 114.637 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--O 1.256 1.403 0 C-N-CA 128.849 2.86 . . . . 0.0 113.37 -175.113 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.84 -55.11 36.89 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.984 -0.447 . . . . 0.0 111.471 171.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.68 -40.87 63.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.786 0.834 . . . . 0.0 112.571 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.83 -49.01 79.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.844 1.202 . . . . 0.0 112.368 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -68.72 -43.48 75.87 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.739 -0.6 . . . . 0.0 112.151 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.86 -38.79 86.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.706 1.202 . . . . 0.0 112.239 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.79 91.1 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.499 -1.376 . . . . 0.0 111.344 171.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.13 -37.96 81.67 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.1 p -71.82 -12.35 61.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.639 1.175 . . . . 0.0 113.123 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.36 26.96 19.45 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.986 1.279 . . . . 0.0 114.08 177.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -114.64 66.99 1.81 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.191 2.196 . . . . 0.0 112.632 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.19 -28.12 56.25 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.995 2.464 . . . . 0.0 112.876 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -56.52 -33.08 65.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -85.25 -27.48 26.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.355 -0.841 . . . . 0.0 111.89 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.1 95.35 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.086 -1.009 . . . . 0.0 111.811 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -63.53 -33.94 76.7 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.908 0.883 . . . . 0.0 112.797 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.01 -38.04 72.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.486 0.715 . . . . 0.0 111.635 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.717 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -57.32 -48.71 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.949 0.795 . . . . 0.0 111.53 173.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.88 -16.55 43.08 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.429 1.091 . . . . 0.0 112.902 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.43 46.19 1.27 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.439 1.895 . . . . 0.0 112.079 170.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.12 -8.3 0.66 Allowed 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.386 -1.446 . . . . 0.0 114.422 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.15 -38.63 71.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.974 2.51 . . . . 0.0 113.082 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -152.62 148.44 20.71 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.989 1.316 . . . . 0.0 112.127 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.12 153.6 28.53 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.278 2.652 . . . . 0.0 110.762 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.03 167.83 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.888 0.852 . . . . 0.0 112.168 -176.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -75.3 97.46 3.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.482 165.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.3 -31.17 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.373 -0.83 . . . . 0.0 110.661 167.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -51.47 -45.48 62.76 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.652 -0.655 . . . . 0.0 112.311 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.88 -42.87 94.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.813 0.733 . . . . 0.0 111.844 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -60.87 -42.73 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.121 0.873 . . . . 0.0 111.656 177.365 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -32.53 71.95 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -76.27 -39.48 54.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.29 1.036 . . . . 0.0 112.72 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.71 -35.46 65.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.755 0.822 . . . . 0.0 111.645 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -101.58 33.24 3.03 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.572 1.149 . . . . 0.0 111.937 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -11.77 36.69 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 120.485 -1.384 . . . . 0.0 113.626 173.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -62.82 -15.26 53.36 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.548 1.539 . . . . 0.0 114.594 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -116.72 159.36 22.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.935 1.694 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -67.19 158.37 31.47 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.535 0.683 . . . . 0.0 112.681 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -19.25 58.88 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 171.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.46 99.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.341 1.056 . . . . 0.0 112.899 169.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.18 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.337 172.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.78 -34.15 36.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 CA-C-O 117.479 -1.248 . . . . 0.0 112.11 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.01 -48.81 80.16 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.566 2.439 . . . . 0.0 112.519 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.09 -37.73 78.6 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.779 0.718 . . . . 0.0 112.395 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -55.38 13.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.931 1.293 . . . . 0.0 111.423 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.9 -42.37 62.68 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 126.494 1.917 . . . . 0.0 111.675 167.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -59.45 -52.19 66.66 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.88 1.673 . . . . 0.0 112.28 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -61.47 -49.61 76.12 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.843 0.747 . . . . 0.0 111.227 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' HA ' ' HG ' ' A' ' 53' ' ' LEU . 79.2 mt -61.99 -33.8 75.0 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.26 -36.17 82.3 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.156 1.383 . . . . 0.0 112.646 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -58.04 -36.95 73.47 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.534 1.515 . . . . 0.0 111.021 169.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.717 HD22 ' CD2' ' A' ' 19' ' ' TYR . 2.8 mt -71.06 -46.03 62.71 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.316 0.647 . . . . 0.0 110.865 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.5 -47.17 85.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.82 0.848 . . . . 0.0 111.181 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -43.95 88.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.797 1.639 . . . . 0.0 111.799 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.9 t -66.79 -38.91 87.45 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.814 0.733 . . . . 0.0 112.202 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.03 89.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.821 1.249 . . . . 0.0 113.714 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.37 55.8 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.791 1.636 . . . . 0.0 111.913 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -60.86 116.0 4.12 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.565 -0.709 . . . . 0.0 111.094 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.025 1.33 . . . . 0.0 111.371 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.77 28.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.035 -0.415 . . . . 0.0 111.801 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.9 t -52.25 -42.42 63.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.266 1.026 . . . . 0.0 112.638 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.16 -50.38 73.91 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.764 1.165 . . . . 0.0 112.602 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -69.48 -41.86 75.59 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.883 -0.511 . . . . 0.0 112.099 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.82 -39.07 90.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.396 1.078 . . . . 0.0 112.375 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.66 89.49 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.785 -1.197 . . . . 0.0 110.872 171.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.54 91.37 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.7 p -72.54 -12.52 61.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.585 1.154 . . . . 0.0 113.076 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.1 26.05 20.07 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.826 1.203 . . . . 0.0 114.033 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.2 64.95 0.73 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.781 2.433 . . . . 0.0 111.469 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -62.02 -27.88 79.87 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.384 2.056 . . . . 0.0 111.857 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.63 -47.32 58.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.603 1.561 . . . . 0.0 113.438 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -77.49 -38.04 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.622 1.101 . . . . 0.0 111.751 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.66 83.93 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.238 0.615 . . . . 0.0 112.017 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -69.25 -41.75 76.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.822 1.249 . . . . 0.0 112.373 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.39 -29.97 62.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.176 0.99 . . . . 0.0 111.43 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -55.83 -41.81 74.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.947 -1.096 . . . . 0.0 113.76 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.0 -25.18 68.27 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.224 -0.923 . . . . 0.0 111.782 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.65 37.1 0.63 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.398 2.279 . . . . 0.0 112.306 173.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -57.28 -6.95 0.47 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.592 1.557 . . . . 0.0 114.284 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' H ' HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -62.42 -13.07 25.68 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 120.347 -1.47 . . . . 0.0 112.724 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -140.93 150.76 60.54 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.05 1.74 . . . . 0.0 111.75 168.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.96 139.05 19.04 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.988 2.459 . . . . 0.0 110.512 165.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.467 HD11 HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -71.57 169.51 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 C-N-CA 125.538 1.535 . . . . 0.0 110.269 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -102.11 94.29 5.68 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.456 -1.402 . . . . 0.0 111.243 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.467 HD13 HD11 ' A' ' 26' ' ' ILE . 14.3 mm -53.7 -40.49 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.696 0.799 . . . . 0.0 111.069 174.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -58.76 -41.01 85.59 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.34 -0.85 . . . . 0.0 112.872 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.9 tp -72.88 -38.48 66.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.246 0.619 . . . . 0.0 111.441 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -41.39 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.403 1.081 . . . . 0.0 112.22 172.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HD3' HG22 ' A' ' 28' ' ' ILE . 14.0 mtpt -63.7 -22.32 66.84 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.644 1.578 . . . . 0.0 114.722 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -94.24 -44.02 8.16 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.52 1.128 . . . . 0.0 112.334 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.87 -34.66 76.4 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.947 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -118.8 33.79 5.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.568 1.547 . . . . 0.0 111.315 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.58 -4.87 9.57 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.576 -1.327 . . . . 0.0 113.678 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -64.76 -15.73 61.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.586 1.554 . . . . 0.0 114.052 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -116.18 160.03 20.96 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.201 1.801 . . . . 0.0 111.724 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.89 156.61 30.42 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.528 1.131 . . . . 0.0 112.405 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -60.68 -24.66 65.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.45 -43.63 93.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.405 1.082 . . . . 0.0 113.035 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.85 -46.6 68.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.32 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.25 -35.4 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.929 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.75 -51.39 69.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 122.38 2.354 . . . . 0.0 111.471 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.92 89.06 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.51 -0.744 . . . . 0.0 112.344 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -48.23 79.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.999 0.919 . . . . 0.0 111.821 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.3 t -54.74 -42.9 72.16 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 127.111 2.164 . . . . 0.0 110.992 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -46.98 86.22 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.208 0.913 . . . . 0.0 112.543 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -45.57 83.96 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.45 -29.31 68.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -69.94 -32.72 71.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.468 -1.395 . . . . 0.0 112.757 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 m -60.38 -38.35 83.67 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.963 1.256 . . . . 0.0 111.245 168.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -41.43 85.62 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.632 0.773 . . . . 0.0 111.511 173.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.81 -46.67 89.62 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.103 0.865 . . . . 0.0 112.159 170.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -55.32 -45.52 76.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.391 1.076 . . . . 0.0 110.825 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.5 t -67.48 -35.89 80.04 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 118.694 0.679 . . . . 0.0 112.775 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.48 87.51 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.7 m -132.63 58.71 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.909 1.684 . . . . 0.0 111.044 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.3 mtp -63.29 82.19 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.495 1.518 . . . . 0.0 112.32 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 pttp . . . . . 0 C--O 1.251 1.177 0 C-N-CA 124.771 1.228 . . . . 0.0 113.523 173.718 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.37 3.56 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.216 171.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.09 -37.7 47.35 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.4 -49.14 72.71 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.208 0.913 . . . . 0.0 111.734 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -65.99 -43.21 88.42 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.927 -0.483 . . . . 0.0 111.673 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.13 -37.06 76.33 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.82 1.248 . . . . 0.0 112.39 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -74.31 -37.03 63.72 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.692 -1.255 . . . . 0.0 111.945 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.28 83.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.725 1.21 . . . . 0.0 114.171 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 p -70.83 -12.06 61.32 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.734 1.214 . . . . 0.0 113.063 172.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.12 25.63 23.79 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.061 1.315 . . . . 0.0 113.945 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -114.77 66.41 1.79 Allowed Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.813 2.045 . . . . 0.0 112.764 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -64.24 -25.89 64.6 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.888 2.392 . . . . 0.0 112.758 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -57.11 -35.81 69.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -83.31 -34.58 25.68 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.334 -0.854 . . . . 0.0 111.248 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.1 87.62 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 122.776 0.43 . . . . 0.0 111.731 168.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -64.47 -34.36 78.02 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.141 -0.974 . . . . 0.0 112.972 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -55.27 -37.75 67.68 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.581 1.082 . . . . 0.0 112.136 173.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -40.88 80.02 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.727 0.694 . . . . 0.0 112.719 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.29 -18.34 65.23 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.399 -0.813 . . . . 0.0 111.811 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.74 37.12 1.01 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.81 2.044 . . . . 0.0 112.212 173.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -55.74 -0.96 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.094 1.758 . . . . 0.0 114.971 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -63.52 -26.86 68.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.796 1.638 . . . . 0.0 112.33 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.6 150.53 31.12 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.39 1.476 . . . . 0.0 112.102 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.39 145.04 20.87 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.089 2.526 . . . . 0.0 111.434 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.408 HD11 HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.03 165.92 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.842 0.857 . . . . 0.0 112.274 -176.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.77 96.65 8.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.828 0.851 . . . . 0.0 110.587 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 26' ' ' ILE . 15.7 mm -56.69 -31.82 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.235 -0.915 . . . . 0.0 111.266 174.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -52.37 -34.55 48.17 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.066 1.346 . . . . 0.0 113.901 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -43.95 66.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.534 0.606 . . . . 0.0 111.077 172.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -37.9 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.823 0.738 . . . . 0.0 112.377 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -39.97 89.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.942 0.897 . . . . 0.0 113.032 172.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -74.38 -43.8 54.87 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.752 0.821 . . . . 0.0 112.936 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.68 -29.21 69.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.309 1.044 . . . . 0.0 112.437 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -123.94 42.82 3.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 111.701 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.76 -11.99 14.83 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.865 -1.147 . . . . 0.0 113.603 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -17.63 64.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 114.315 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 pp -119.84 143.26 47.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.25 169.84 8.1 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.891 1.277 . . . . 0.0 113.168 -172.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -29.82 58.26 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.398 -1.287 . . . . 0.0 112.991 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.3 -40.01 92.59 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.479 1.945 . . . . 0.0 114.226 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.94 -49.49 24.39 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.545 -0.722 . . . . 0.0 110.519 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -54.7 -33.2 27.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.34 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.02 -52.92 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 121.346 1.885 . . . . 0.0 110.902 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.51 95.62 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.196 0.907 . . . . 0.0 111.919 174.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.19 -58.44 7.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.403 1.481 . . . . 0.0 111.231 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.47 -37.55 62.78 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 126.966 2.106 . . . . 0.0 112.642 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -51.29 55.84 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.577 1.535 . . . . 0.0 111.551 177.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.26 -44.2 97.64 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.558 0.617 . . . . 0.0 111.678 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.698 ' HA ' HD22 ' A' ' 53' ' ' LEU . 8.9 mp -70.09 -29.59 66.61 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -69.2 -32.24 71.38 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 120.422 -1.424 . . . . 0.0 111.997 168.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -59.63 -34.53 72.9 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.96 1.255 . . . . 0.0 111.806 169.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.52 -43.85 65.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.849 0.86 . . . . 0.0 111.414 174.839 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.6 -43.24 97.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.226 0.61 . . . . 0.0 111.982 171.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -46.29 85.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.928 1.291 . . . . 0.0 111.116 173.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.85 -35.6 81.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.776 0.717 . . . . 0.0 112.004 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.48 83.9 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.62 49.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.751 1.22 . . . . 0.0 112.654 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.5 mtm -59.88 99.0 0.06 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.318 1.047 . . . . 0.0 112.17 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.709 1.604 . . . . 0.0 112.802 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.52 12.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.13 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.0 t -51.66 -43.84 62.81 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.953 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.76 -47.17 84.69 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.914 0.779 . . . . 0.0 112.533 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.614 -0.679 . . . . 0.0 112.339 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.42 -39.04 82.23 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.564 1.145 . . . . 0.0 111.758 174.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -41.66 90.96 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.3 -0.875 . . . . 0.0 112.149 170.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -41.33 70.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -68.9 -22.6 64.17 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.023 0.829 . . . . 0.0 112.693 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.08 28.63 7.19 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.71 1.148 . . . . 0.0 113.935 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -114.34 62.21 1.19 Allowed Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.799 2.04 . . . . 0.0 112.365 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -64.84 -23.9 61.88 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.938 2.425 . . . . 0.0 112.651 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -32.48 59.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 170.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -88.88 -26.46 21.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.85 0.86 . . . . 0.0 111.737 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.68 85.28 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.971 -1.081 . . . . 0.0 111.46 167.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -29.47 70.79 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.84 0.856 . . . . 0.0 113.005 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.85 -35.01 75.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.814 1.245 . . . . 0.0 111.773 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.733 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -63.92 -43.02 97.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.423 0.689 . . . . 0.0 111.903 173.706 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -19.55 63.75 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.508 -0.745 . . . . 0.0 111.796 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -91.15 35.64 0.92 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.46 1.904 . . . . 0.0 112.997 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -54.79 -3.61 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.327 1.851 . . . . 0.0 115.871 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.13 -29.63 67.54 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.285 1.834 . . . . 0.0 113.053 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -152.72 152.28 28.28 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.426 1.491 . . . . 0.0 111.936 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -79.78 150.7 21.39 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.003 2.469 . . . . 0.0 110.894 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.21 170.13 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.756 0.822 . . . . 0.0 111.349 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.84 103.37 11.47 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.363 -0.835 . . . . 0.0 110.747 165.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.9 mm -53.82 -28.3 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.533 -0.73 . . . . 0.0 111.254 168.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -50.58 -41.7 54.82 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.423 0.689 . . . . 0.0 112.424 173.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.42 -43.28 91.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.509 1.049 . . . . 0.0 111.974 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -46.52 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.148 0.579 . . . . 0.0 111.108 174.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -28.57 64.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.797 1.639 . . . . 0.0 112.979 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -74.98 -43.76 52.12 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.849 1.204 . . . . 0.0 112.227 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.55 -33.51 69.2 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.304 0.502 . . . . 0.0 111.901 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -104.42 29.42 6.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.927 0.891 . . . . 0.0 112.257 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.74 -8.29 41.64 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.765 -1.21 . . . . 0.0 112.534 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -65.91 -34.11 77.37 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.37 1.068 . . . . 0.0 113.25 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 pp -89.39 164.73 14.75 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.505 1.122 . . . . 0.0 111.858 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.47 151.56 44.99 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -21.72 62.97 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -36.45 82.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.938 1.244 . . . . 0.0 113.787 170.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.35 -38.0 68.7 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.463 1.029 . . . . 0.0 110.701 168.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -58.75 -35.33 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.383 1.447 . . . . 0.0 112.174 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.3 -51.28 70.22 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 122.484 2.402 . . . . 0.0 112.085 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.17 95.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.389 0.995 . . . . 0.0 111.946 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.65 -52.43 38.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.996 0.918 . . . . 0.0 111.668 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -53.54 -45.32 69.78 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.66 1.584 . . . . 0.0 111.742 168.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -49.59 76.82 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.562 1.528 . . . . 0.0 112.465 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.97 -40.78 87.54 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.826 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HA ' ' HG ' ' A' ' 53' ' ' LEU . 1.3 mp -73.12 -30.87 63.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.597 0.759 . . . . 0.0 112.423 178.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -62.68 -36.28 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.673 1.189 . . . . 0.0 111.989 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -31.85 68.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.404 1.002 . . . . 0.0 112.268 171.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.733 HD22 ' CD2' ' A' ' 19' ' ' TYR . 3.7 mt -74.05 -44.43 54.29 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 110.874 175.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.83 -37.51 79.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.334 0.654 . . . . 0.0 112.247 171.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -42.51 91.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.898 1.279 . . . . 0.0 112.003 173.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.4 t -65.24 -38.34 90.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.537 1.062 . . . . 0.0 111.851 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.06 83.8 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 113.541 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.17 70.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.494 2.318 . . . . 0.0 108.653 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.1 mtt -72.65 99.29 2.53 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.349 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.147 1.779 . . . . 0.0 111.045 179.205 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.58 -57.97 9.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 119.25 -0.405 . . . . 0.0 111.167 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 t -48.53 -40.29 26.36 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.252 1.021 . . . . 0.0 112.859 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.1 -48.29 82.34 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.768 1.167 . . . . 0.0 112.201 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -69.78 -41.0 75.69 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.668 -0.645 . . . . 0.0 112.27 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.68 -41.92 96.09 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.12 1.368 . . . . 0.0 111.453 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.51 87.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.363 1.465 . . . . 0.0 112.067 171.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.78 83.06 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 t -68.18 -19.73 64.81 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.27 -0.894 . . . . 0.0 112.596 171.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.21 28.84 8.32 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.792 1.187 . . . . 0.0 113.888 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -114.71 68.78 2.06 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.035 2.134 . . . . 0.0 112.13 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -65.7 -23.89 55.68 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.657 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -55.87 -36.38 67.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -83.11 -30.96 27.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.553 -0.717 . . . . 0.0 111.699 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.23 93.87 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.302 -0.874 . . . . 0.0 112.001 169.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -63.15 -37.23 86.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.355 1.062 . . . . 0.0 112.226 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.87 -33.02 68.25 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.478 1.111 . . . . 0.0 112.477 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -40.5 83.54 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.153 -0.967 . . . . 0.0 112.703 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.68 -16.98 63.66 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.097 -1.002 . . . . 0.0 111.912 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -85.06 28.07 0.73 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.781 2.033 . . . . 0.0 112.703 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -51.52 -6.3 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.076 2.15 . . . . 0.0 115.724 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.3 -28.81 67.11 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.166 1.787 . . . . 0.0 112.936 172.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -151.91 152.29 29.69 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.911 1.284 . . . . 0.0 112.833 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.8 142.87 12.91 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.262 2.641 . . . . 0.0 110.949 170.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.96 170.12 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.673 1.589 . . . . 0.0 111.61 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -85.58 99.5 11.3 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.563 168.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.92 -29.77 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.14 -0.975 . . . . 0.0 112.194 169.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -50.14 -33.87 20.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.519 1.128 . . . . 0.0 113.525 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 tp -73.95 -38.31 64.28 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.624 0.647 . . . . 0.0 111.862 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -39.25 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.366 -0.834 . . . . 0.0 112.334 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.34 68.09 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 171.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -88.2 -46.29 9.38 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.457 1.026 . . . . 0.0 113.046 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.57 -38.86 82.26 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.054 0.942 . . . . 0.0 111.289 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -119.75 66.06 0.81 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.76 1.624 . . . . 0.0 107.956 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -88.39 -5.6 58.2 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.122 1.369 . . . . 0.0 112.128 168.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -69.01 -36.47 77.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.8 1.24 . . . . 0.0 113.511 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.554 HD21 HG12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -72.63 -179.21 2.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.087 2.155 . . . . 0.0 112.814 179.109 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -90.44 155.75 18.7 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.928 -1.107 . . . . 0.0 112.733 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.97 -21.15 60.86 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -49.36 78.15 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 112.825 168.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -36.38 75.03 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.984 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.554 HG12 HD21 ' A' ' 38' ' ' LEU . 18.5 mm -56.14 -36.86 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.077 -1.44 . . . . 0.0 112.637 168.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -47.46 74.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.965 2.166 . . . . 0.0 111.598 177.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -36.14 36.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.052 0.941 . . . . 0.0 113.319 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.64 -50.51 70.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.951 1.7 . . . . 0.0 109.745 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -57.87 -40.21 79.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 125.078 1.351 . . . . 0.0 111.834 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -52.7 63.36 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.494 1.952 . . . . 0.0 112.429 176.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.03 -47.77 83.28 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.231 0.612 . . . . 0.0 111.928 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.624 ' HA ' HD22 ' A' ' 53' ' ' LEU . 9.3 mp -67.5 -31.96 72.44 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.904 0.775 . . . . 0.0 112.265 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -62.39 -34.25 76.35 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.143 -1.598 . . . . 0.0 110.78 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -61.62 -37.1 82.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.58 1.082 . . . . 0.0 112.916 170.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -67.58 -44.94 76.96 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.82 0.848 . . . . 0.0 111.336 176.173 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -62.65 -45.91 90.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.241 1.016 . . . . 0.0 112.518 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -41.59 93.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.423 1.489 . . . . 0.0 111.961 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 11.6 t -67.94 -35.14 77.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.682 0.673 . . . . 0.0 111.547 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.75 92.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.45 55.38 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.637 1.575 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.18 73.86 0.48 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.717 1.607 . . . . 0.0 112.695 176.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.256 1.399 0 C-N-CA 126.399 1.88 . . . . 0.0 114.489 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.95 35.28 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.168 -0.957 . . . . 0.0 111.483 167.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -49.6 -40.35 38.63 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.206 1.402 . . . . 0.0 113.054 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.73 -47.5 84.39 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.525 -0.735 . . . . 0.0 112.243 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -67.8 -42.79 81.03 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.509 -1.369 . . . . 0.0 111.925 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.0 -30.23 71.44 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.818 1.247 . . . . 0.0 111.533 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -31.14 29.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 0.0 111.343 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.57 75.58 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.025 1.33 . . . . 0.0 113.678 170.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.7 p -79.45 -12.8 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 24.39 24.11 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 124.346 0.974 . . . . 0.0 114.379 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -117.71 62.5 3.91 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.981 1.312 . . . . 0.0 112.966 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -59.55 -25.92 80.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.097 1.864 . . . . 0.0 112.637 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -47.44 -39.06 14.79 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 166.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -80.87 -36.95 30.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 122.988 0.515 . . . . 0.0 111.658 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.33 74.13 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 120.72 -1.238 . . . . 0.0 111.889 170.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -26.9 67.12 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 117.792 -1.099 . . . . 0.0 113.266 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.54 -28.69 64.05 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.975 1.261 . . . . 0.0 113.161 175.686 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.755 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -64.29 -37.27 86.89 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 121.01 -1.056 . . . . 0.0 111.238 171.078 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.58 -10.25 54.66 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.909 -1.119 . . . . 0.0 111.379 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -100.57 34.25 2.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.952 1.301 . . . . 0.0 112.066 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -53.09 -5.27 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 127.01 2.124 . . . . 0.0 115.298 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.82 -24.08 66.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.616 2.366 . . . . 0.0 113.261 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.77 151.34 24.81 Favored Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 125.457 1.503 . . . . 0.0 113.457 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -78.95 132.95 10.88 Favored 'Trans proline' 0 C--N 1.363 1.34 0 C-N-CA 121.895 1.73 . . . . 0.0 112.568 168.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.08 157.33 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.059 1.744 . . . . 0.0 112.98 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -76.75 113.51 14.49 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.135 0.88 . . . . 0.0 111.332 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 mm -55.64 -34.0 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 120.978 -1.076 . . . . 0.0 110.361 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -37.63 44.96 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.777 1.231 . . . . 0.0 113.531 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.42 97.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.319 0.647 . . . . 0.0 111.145 176.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.2 67.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.753 0.821 . . . . 0.0 111.985 172.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -27.98 69.54 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.139 1.336 . . . . 0.0 111.034 170.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -46.39 17.67 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.323 1.874 . . . . 0.0 111.813 172.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.12 -35.26 78.2 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.109 -0.995 . . . . 0.0 111.939 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -125.11 78.6 1.72 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.81 -11.13 27.33 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.502 1.121 . . . . 0.0 113.563 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -66.72 -30.7 71.0 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.454 -2.029 . . . . 0.0 114.49 -174.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 179.21 7.55 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 126.57 1.948 . . . . 0.0 113.491 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -85.71 157.14 20.37 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.57 -1.331 . . . . 0.0 112.932 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -22.92 62.44 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 171.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -42.09 99.6 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.984 -1.072 . . . . 0.0 112.964 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.82 -35.88 67.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.532 0.605 . . . . 0.0 111.22 172.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.8 mm -56.78 -37.82 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.484 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -57.45 -42.12 81.87 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 122.274 2.306 . . . . 0.0 112.582 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.77 -39.91 50.06 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.79 -51.2 65.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.224 1.41 . . . . 0.0 110.138 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -57.21 -50.35 73.15 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 125.452 1.501 . . . . 0.0 111.481 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -48.79 73.43 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.373 1.897 . . . . 0.0 112.088 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -52.63 59.14 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.41 -28.15 68.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 120.166 1.348 . . . . 0.0 111.917 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -73.55 -30.62 63.17 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 119.202 -2.186 . . . . 0.0 113.11 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -59.4 -32.34 70.08 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.323 0.965 . . . . 0.0 113.083 165.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.755 HD22 ' CD2' ' A' ' 19' ' ' TYR . 4.5 mt -69.69 -42.2 74.41 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.653 0.781 . . . . 0.0 111.567 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.7 -40.73 79.88 Favored 'General case' 0 CA--C 1.565 1.536 0 O-C-N 121.529 -0.732 . . . . 0.0 112.514 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -42.63 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.842 1.257 . . . . 0.0 111.202 166.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.5 t -65.09 -37.52 87.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 119.452 1.024 . . . . 0.0 113.016 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.59 70.82 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.769 1.228 . . . . 0.0 113.155 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.37 52.42 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.731 1.213 . . . . 0.0 112.186 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.55 110.22 0.94 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.602 -1.311 . . . . 0.0 111.143 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.283 2.828 0 C-N-CA 126.681 1.993 . . . . 0.0 112.494 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -56.93 -32.43 65.97 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 120.382 1.447 . . . . 0.0 112.681 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.57 -61.45 2.49 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.873 0.869 . . . . 0.0 112.097 167.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.1 m -53.94 -42.11 68.5 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.558 1.072 . . . . 0.0 113.649 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.84 -44.64 76.71 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.308 0.643 . . . . 0.0 112.279 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -66.64 -40.19 88.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.413 0.685 . . . . 0.0 111.507 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.55 -42.05 91.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.129 1.372 . . . . 0.0 111.837 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.62 82.87 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.059 -1.026 . . . . 0.0 112.214 169.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.04 77.69 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -70.02 -24.77 63.33 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.642 1.11 . . . . 0.0 112.8 171.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.55 29.74 4.61 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.464 1.031 . . . . 0.0 113.86 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -115.08 62.65 1.51 Allowed Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 128.353 2.661 . . . . 0.0 111.324 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -62.67 -27.01 75.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.26 1.973 . . . . 0.0 112.354 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -52.97 -43.23 66.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.43 1.492 . . . . 0.0 113.121 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -79.45 -29.03 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.124 -0.985 . . . . 0.0 112.12 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.16 88.58 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.463 -0.773 . . . . 0.0 111.388 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.99 -35.14 77.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 112.127 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 26' ' ' ILE . 6.4 tt -57.01 -29.89 63.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.239 1.016 . . . . 0.0 112.88 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.91 -38.21 78.39 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.219 0.918 . . . . 0.0 112.706 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -68.29 -16.08 63.82 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.345 -0.847 . . . . 0.0 112.132 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -92.75 34.45 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.721 2.008 . . . . 0.0 111.019 174.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -59.0 4.6 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.225 1.81 . . . . 0.0 115.207 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.536 ' H ' HD22 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -67.29 -22.15 65.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.363 -1.461 . . . . 0.0 113.094 175.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -149.23 147.45 23.61 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.344 1.458 . . . . 0.0 112.201 171.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -79.4 152.04 23.22 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.187 2.592 . . . . 0.0 110.609 169.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.489 HG21 HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -100.47 161.26 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 121.643 0.735 . . . . 0.0 112.738 -174.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -70.93 87.83 0.74 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.717 0.807 . . . . 0.0 110.551 168.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.6 mm -48.07 -42.5 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.798 1.239 . . . . 0.0 111.159 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 t -61.49 -35.09 76.7 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.43 -44.68 74.45 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.197 -0.939 . . . . 0.0 110.461 172.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.95 -41.48 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.242 0.617 . . . . 0.0 111.581 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -58.9 -24.65 62.58 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.867 1.667 . . . . 0.0 114.575 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -36.22 41.79 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.542 1.519 . . . . 0.0 112.866 168.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.44 -26.0 67.0 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' NE2' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -129.75 31.5 4.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.876 1.27 . . . . 0.0 112.893 177.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.05 -11.62 2.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -60.84 -28.63 68.96 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.914 1.686 . . . . 0.0 114.47 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.92 160.76 14.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.373 1.069 . . . . 0.0 113.54 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.23 155.95 39.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.827 0.851 . . . . 0.0 112.62 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -58.07 -14.85 7.47 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -47.05 88.25 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.808 1.185 . . . . 0.0 113.248 167.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.05 -25.83 39.97 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.06 -46.77 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.517 163.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.81 -44.36 90.81 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 121.059 1.754 . . . . 0.0 112.531 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.23 66.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.689 0.677 . . . . 0.0 111.799 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.499 HD22 ' NE2' ' A' ' 35' ' ' HIS . 2.9 tp -60.87 -47.34 86.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.539 0.736 . . . . 0.0 112.121 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.6 m -57.0 -45.51 82.98 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 125.032 1.333 . . . . 0.0 111.469 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -46.31 84.93 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 121.09 1.768 . . . . 0.0 111.81 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -69.02 -47.53 65.21 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 53' ' ' LEU . 87.8 mt -68.22 -30.41 69.47 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 112.725 176.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.31 -29.36 64.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.116 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.2 m -60.92 -42.26 97.74 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.587 1.994 . . . . 0.0 111.297 166.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -64.54 -46.82 81.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.755 0.822 . . . . 0.0 111.857 175.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.77 -42.45 99.7 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.564 0.746 . . . . 0.0 112.62 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -40.26 75.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.954 1.701 . . . . 0.0 111.358 175.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.57 -37.21 71.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.435 0.694 . . . . 0.0 111.612 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.58 84.34 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.598 1.159 . . . . 0.0 113.793 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.3 m -132.52 52.99 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.73 1.612 . . . . 0.0 112.068 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.33 62.78 0.06 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.885 2.074 . . . . 0.0 114.85 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mttt . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.062 1.745 . . . . 0.0 113.141 171.607 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 mttm . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -33.55 74.79 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 119.551 -1.968 . . . . 0.0 112.91 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.42 -57.99 10.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.956 0.903 . . . . 0.0 111.742 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -54.23 -39.9 67.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 112.474 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.49 -49.22 77.65 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.696 1.134 . . . . 0.0 111.976 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -64.7 -45.66 85.66 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.945 -0.472 . . . . 0.0 111.959 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.97 -39.99 91.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.955 1.302 . . . . 0.0 112.379 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -40.08 92.47 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.574 -1.328 . . . . 0.0 111.48 173.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.05 76.15 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 p -72.31 -14.04 61.65 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.261 1.024 . . . . 0.0 113.353 173.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.55 26.96 12.27 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.783 1.183 . . . . 0.0 113.95 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -112.57 67.67 0.95 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.279 2.232 . . . . 0.0 111.671 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.45 -29.5 71.45 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.812 2.341 . . . . 0.0 112.015 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -51.85 -45.86 64.18 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.329 1.452 . . . . 0.0 113.544 170.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -79.36 -38.88 33.97 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.515 -0.741 . . . . 0.0 111.099 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.7 76.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.791 0.836 . . . . 0.0 112.141 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -72.78 -36.1 67.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.955 1.302 . . . . 0.0 112.895 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -37.8 62.4 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.199 0.909 . . . . 0.0 111.68 172.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -38.82 64.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 174.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -19.88 64.91 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.981 178.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.8 34.93 1.05 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.3 2.24 . . . . 0.0 111.854 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -56.27 0.06 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.094 1.758 . . . . 0.0 115.102 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.95 -24.85 59.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.299 1.839 . . . . 0.0 112.801 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -144.8 146.12 30.42 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 111.649 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -78.96 152.72 24.93 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.136 2.558 . . . . 0.0 111.869 168.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.71 165.7 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.746 1.218 . . . . 0.0 111.786 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.94 101.19 13.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.666 -0.646 . . . . 0.0 110.604 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -54.56 -39.54 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.98 0.912 . . . . 0.0 110.524 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -56.53 -34.0 66.61 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.284 1.034 . . . . 0.0 113.395 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -41.05 63.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.795 0.838 . . . . 0.0 111.339 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.82 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 112.326 172.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -25.19 64.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 113.319 171.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -86.75 -44.63 11.63 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.556 1.071 . . . . 0.0 111.98 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -61.35 -37.3 82.83 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.477 0.711 . . . . 0.0 112.117 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.678 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.2 m80 -114.83 46.73 1.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.674 1.59 . . . . 0.0 109.92 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -71.62 -10.69 60.15 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -71.67 -23.09 61.6 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.634 1.574 . . . . 0.0 114.736 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.744 HD21 HG12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -80.1 -173.22 3.84 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.34 1.856 . . . . 0.0 112.759 -178.344 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.23 159.4 15.58 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.175 -0.953 . . . . 0.0 112.724 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.27 -23.6 37.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.54 -46.51 88.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.831 0.852 . . . . 0.0 112.843 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.77 72.12 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 117.342 -1.314 . . . . 0.0 110.506 172.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.744 HG12 HD21 ' A' ' 38' ' ' LEU . 30.7 mm -56.88 -32.64 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.541 1.519 . . . . 0.0 113.345 173.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.02 -49.56 75.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 122.003 2.183 . . . . 0.0 111.682 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.73 80.22 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.462 -0.774 . . . . 0.0 112.57 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tp -64.73 -50.72 65.77 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 125.71 1.604 . . . . 0.0 111.156 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.04 -45.76 86.45 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.247 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.82 -49.39 77.91 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.084 1.766 . . . . 0.0 112.205 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 mmt-85 -66.87 -50.25 63.07 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.756 0.822 . . . . 0.0 111.832 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.81 -31.06 71.44 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.977 -1.077 . . . . 0.0 113.126 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.28 -39.57 92.77 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 120.577 -1.327 . . . . 0.0 110.987 167.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -57.46 -36.87 71.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.766 1.166 . . . . 0.0 111.978 170.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -44.09 86.15 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.837 0.744 . . . . 0.0 111.668 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.11 -44.16 96.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.214 0.605 . . . . 0.0 112.241 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -41.86 96.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.212 1.405 . . . . 0.0 111.572 175.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.15 -34.93 75.75 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.016 0.825 . . . . 0.0 111.826 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.29 93.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.531 1.132 . . . . 0.0 113.681 172.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.26 54.78 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.151 1.38 . . . . 0.0 112.068 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -71.94 61.64 0.42 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.707 2.003 . . . . 0.0 113.89 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.634 1.573 . . . . 0.0 113.626 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 tttp . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 117.135 -1.412 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -54.95 -38.04 67.22 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 121.399 1.909 . . . . 0.0 113.534 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -57.01 14.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.969 -0.457 . . . . 0.0 111.312 172.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.53 -40.89 62.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.081 0.952 . . . . 0.0 112.674 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -62.53 -49.36 75.64 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.681 1.128 . . . . 0.0 112.083 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -67.02 -43.01 83.95 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.804 -0.56 . . . . 0.0 111.836 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.29 -39.31 92.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 112.342 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.76 98.08 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.513 -1.367 . . . . 0.0 111.131 171.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.81 80.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -72.57 -13.02 61.3 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.534 1.133 . . . . 0.0 113.079 173.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.02 26.43 16.45 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.076 1.322 . . . . 0.0 114.143 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -114.18 63.5 1.24 Allowed Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 127.328 2.251 . . . . 0.0 112.852 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -64.81 -25.36 60.65 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.916 2.411 . . . . 0.0 112.729 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -57.48 -31.23 65.77 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -85.1 -31.28 23.43 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.221 -0.925 . . . . 0.0 111.462 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.17 93.17 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.147 -0.97 . . . . 0.0 111.438 166.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.2 -35.96 82.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.835 0.854 . . . . 0.0 112.748 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.54 HD13 ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -57.34 -35.25 69.66 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.645 1.111 . . . . 0.0 112.164 176.733 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.418 ' CG ' ' HG ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -61.61 -40.03 93.37 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.391 0.615 . . . . 0.0 112.438 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.28 -15.32 59.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.008 0.923 . . . . 0.0 112.319 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.72 35.81 1.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.787 2.035 . . . . 0.0 111.837 175.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -52.36 -3.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.248 2.219 . . . . 0.0 115.596 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.61 -28.39 67.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.704 2.001 . . . . 0.0 112.727 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.11 151.49 34.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.041 1.337 . . . . 0.0 112.274 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -77.83 141.03 18.89 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.234 2.623 . . . . 0.0 111.005 170.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.54 ' CG2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -81.14 169.51 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-O 121.669 0.747 . . . . 0.0 111.917 -179.397 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -87.36 98.76 11.53 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.614 -0.679 . . . . 0.0 110.174 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.0 mm -53.97 -36.04 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.483 -0.761 . . . . 0.0 110.545 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -52.74 -46.08 67.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.677 0.791 . . . . 0.0 112.126 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.91 -40.85 83.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.468 0.707 . . . . 0.0 111.357 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -47.48 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.057 0.844 . . . . 0.0 111.194 174.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -35.93 81.12 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.276 1.83 . . . . 0.0 112.54 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -71.99 -43.83 64.49 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.393 0.997 . . . . 0.0 112.808 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.89 -32.73 71.22 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.597 0.759 . . . . 0.0 111.934 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -109.33 33.55 4.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 111.517 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -6.76 10.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.882 -1.136 . . . . 0.0 113.144 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -62.65 -17.04 59.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.864 1.266 . . . . 0.0 113.943 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -115.06 159.45 20.82 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.978 1.711 . . . . 0.0 111.751 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.6 161.6 30.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.598 0.759 . . . . 0.0 112.627 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 mpp_? -61.13 -27.2 68.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.062 -0.971 . . . . 0.0 113.563 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -33.23 74.97 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.319 1.418 . . . . 0.0 113.895 171.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.69 -47.58 53.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.15 0.886 . . . . 0.0 110.527 168.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.8 mm -56.36 -32.25 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 117.771 -1.109 . . . . 0.0 112.779 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.78 -50.34 71.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 121.847 2.112 . . . . 0.0 111.793 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.49 93.68 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.618 0.645 . . . . 0.0 112.028 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -56.15 17.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.699 1.2 . . . . 0.0 111.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.72 -42.57 65.0 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 126.123 1.769 . . . . 0.0 111.678 170.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.58 80.4 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.192 1.36 . . . . 0.0 112.392 176.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -66.56 -45.32 79.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.731 0.696 . . . . 0.0 112.102 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.5 mt -70.34 -26.22 63.65 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -66.59 -35.19 79.6 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.861 -1.15 . . . . 0.0 111.568 167.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -61.98 -39.1 91.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.956 1.253 . . . . 0.0 111.574 169.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HG ' ' CG ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -65.83 -46.0 80.19 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.934 0.894 . . . . 0.0 111.716 174.591 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.9 -41.81 98.34 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.627 0.771 . . . . 0.0 111.804 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.81 86.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.91 1.284 . . . . 0.0 111.609 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.79 -39.6 91.12 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.658 0.663 . . . . 0.0 112.177 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.15 84.85 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.68 51.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.285 1.434 . . . . 0.0 112.214 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.5 mtt -55.87 111.02 0.82 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.134 0.974 . . . . 0.0 111.968 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.729 2.012 . . . . 0.0 112.209 176.342 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 pttm . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -59.03 -34.57 72.06 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.396 -1.44 . . . . 0.0 113.018 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.67 -59.09 5.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.689 0.796 . . . . 0.0 111.623 169.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -53.6 -40.66 65.87 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -66.24 -48.47 70.43 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.02 0.827 . . . . 0.0 112.351 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -63.09 -43.24 99.05 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.09 0.556 . . . . 0.0 111.399 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.25 -35.14 76.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.929 1.292 . . . . 0.0 112.495 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.536 -1.353 . . . . 0.0 111.45 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.81 71.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.849 1.26 . . . . 0.0 114.296 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.7 p -70.15 -14.03 62.46 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.684 1.194 . . . . 0.0 113.141 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.97 26.54 18.94 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.998 1.285 . . . . 0.0 113.763 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -114.07 62.1 1.09 Allowed Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 127.535 2.334 . . . . 0.0 112.555 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -64.19 -26.16 64.9 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 122.586 2.191 . . . . 0.0 112.535 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -57.83 -36.63 72.53 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -80.26 -34.57 36.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.204 -0.935 . . . . 0.0 110.485 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.21 96.62 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.722 -0.611 . . . . 0.0 111.715 169.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.03 -34.23 77.53 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.25 -0.906 . . . . 0.0 112.962 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -55.66 -37.34 68.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.19 0.904 . . . . 0.0 112.326 175.087 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -39.07 71.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.575 0.625 . . . . 0.0 112.556 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -18.17 64.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.669 0.788 . . . . 0.0 112.217 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -93.14 37.45 1.03 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.676 1.99 . . . . 0.0 111.721 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -56.78 1.99 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.631 1.972 . . . . 0.0 114.803 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.47 -24.26 67.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.151 1.78 . . . . 0.0 112.19 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.42 149.53 29.17 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.032 1.333 . . . . 0.0 112.062 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.29 143.81 20.09 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.456 2.77 . . . . 0.0 111.202 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.451 ' CG2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -88.23 167.07 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 O-C-N 121.428 -0.795 . . . . 0.0 111.642 -178.095 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -82.16 99.88 9.5 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.552 -0.717 . . . . 0.0 110.28 168.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.19 -32.48 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 121.267 -0.896 . . . . 0.0 110.657 168.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -54.8 -43.59 73.02 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.64 -41.99 87.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.246 1.018 . . . . 0.0 112.279 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -52.17 60.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.073 0.549 . . . . 0.0 110.617 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -38.6 71.53 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.002 1.721 . . . . 0.0 112.044 173.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -38.46 91.07 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.069 1.347 . . . . 0.0 113.668 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.58 -29.76 69.2 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.613 0.765 . . . . 0.0 112.551 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -125.21 49.76 1.85 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.183 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.35 31.89 0.18 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.242 1.417 . . . . 0.0 111.95 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -123.01 -14.73 7.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.507 1.923 . . . . 0.0 113.227 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.28 165.9 11.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.811 1.644 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 p30 -69.04 160.61 30.67 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 122.513 1.149 . . . . 0.0 113.654 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -17.73 60.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.714 171.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.72 71.44 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.919 1.236 . . . . 0.0 112.31 172.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.12 90.81 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.547 -0.721 . . . . 0.0 111.203 171.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.6 mm -60.44 -38.29 77.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-O 117.557 -1.211 . . . . 0.0 111.412 170.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.64 -43.63 98.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 122.604 2.456 . . . . 0.0 111.718 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.41 85.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.967 0.803 . . . . 0.0 112.033 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 tp -70.53 -51.16 30.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.4 t -52.05 -43.3 63.73 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 126.116 1.766 . . . . 0.0 112.269 166.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -61.3 -55.0 36.79 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.508 1.958 . . . . 0.0 112.416 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -62.03 -43.67 98.35 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.625 0.648 . . . . 0.0 111.396 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' HA ' HD22 ' A' ' 53' ' ' LEU . 70.1 mt -70.36 -31.09 68.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.347 1.059 . . . . 0.0 113.42 175.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -67.84 -33.51 74.91 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 120.467 -1.395 . . . . 0.0 112.092 167.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -60.53 -37.81 82.38 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.356 1.434 . . . . 0.0 111.474 170.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -67.55 -45.7 74.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.933 0.893 . . . . 0.0 111.703 173.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.87 -44.1 97.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.464 0.706 . . . . 0.0 112.226 172.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -42.47 91.56 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.696 1.599 . . . . 0.0 111.209 176.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.1 -34.62 76.74 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.053 0.842 . . . . 0.0 112.001 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.02 91.91 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.72 1.208 . . . . 0.0 113.91 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.03 57.93 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.125 1.77 . . . . 0.0 111.14 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -73.49 44.95 0.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 127.174 2.19 . . . . 0.0 114.637 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--O 1.256 1.403 0 C-N-CA 128.849 2.86 . . . . 0.0 113.37 -175.113 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 tttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 117.153 -1.403 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.66 -36.49 67.12 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 121.58 1.991 . . . . 0.0 113.759 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.84 -55.11 36.89 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.984 -0.447 . . . . 0.0 111.471 171.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.68 -40.87 63.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.786 0.834 . . . . 0.0 112.571 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.83 -49.01 79.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.844 1.202 . . . . 0.0 112.368 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -68.72 -43.48 75.87 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.739 -0.6 . . . . 0.0 112.151 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.86 -38.79 86.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.706 1.202 . . . . 0.0 112.239 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.79 91.1 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.499 -1.376 . . . . 0.0 111.344 171.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.13 -37.96 81.67 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.1 p -71.82 -12.35 61.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.639 1.175 . . . . 0.0 113.123 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.36 26.96 19.45 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.986 1.279 . . . . 0.0 114.08 177.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -114.64 66.99 1.81 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.191 2.196 . . . . 0.0 112.632 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.19 -28.12 56.25 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.995 2.464 . . . . 0.0 112.876 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -56.52 -33.08 65.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -85.25 -27.48 26.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.355 -0.841 . . . . 0.0 111.89 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.1 95.35 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.086 -1.009 . . . . 0.0 111.811 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -63.53 -33.94 76.7 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.908 0.883 . . . . 0.0 112.797 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.01 -38.04 72.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.486 0.715 . . . . 0.0 111.635 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.717 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -57.32 -48.71 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.949 0.795 . . . . 0.0 111.53 173.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.88 -16.55 43.08 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.429 1.091 . . . . 0.0 112.902 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.43 46.19 1.27 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.439 1.895 . . . . 0.0 112.079 170.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.12 -8.3 0.66 Allowed 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.386 -1.446 . . . . 0.0 114.422 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.15 -38.63 71.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.974 2.51 . . . . 0.0 113.082 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -152.62 148.44 20.71 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.989 1.316 . . . . 0.0 112.127 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.12 153.6 28.53 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.278 2.652 . . . . 0.0 110.762 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.03 167.83 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.888 0.852 . . . . 0.0 112.168 -176.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -75.3 97.46 3.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.482 165.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.3 -31.17 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.373 -0.83 . . . . 0.0 110.661 167.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -51.47 -45.48 62.76 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.652 -0.655 . . . . 0.0 112.311 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.88 -42.87 94.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.813 0.733 . . . . 0.0 111.844 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -60.87 -42.73 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.121 0.873 . . . . 0.0 111.656 177.365 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -32.53 71.95 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -76.27 -39.48 54.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.29 1.036 . . . . 0.0 112.72 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.71 -35.46 65.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.755 0.822 . . . . 0.0 111.645 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -101.58 33.24 3.03 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.572 1.149 . . . . 0.0 111.937 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -11.77 36.69 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 120.485 -1.384 . . . . 0.0 113.626 173.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -62.82 -15.26 53.36 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.548 1.539 . . . . 0.0 114.594 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -116.72 159.36 22.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.935 1.694 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -67.19 158.37 31.47 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.535 0.683 . . . . 0.0 112.681 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -19.25 58.88 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 171.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.46 99.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.341 1.056 . . . . 0.0 112.899 169.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.18 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.337 172.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.78 -34.15 36.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 CA-C-O 117.479 -1.248 . . . . 0.0 112.11 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.01 -48.81 80.16 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.566 2.439 . . . . 0.0 112.519 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.09 -37.73 78.6 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.779 0.718 . . . . 0.0 112.395 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -55.38 13.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.931 1.293 . . . . 0.0 111.423 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.9 -42.37 62.68 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 126.494 1.917 . . . . 0.0 111.675 167.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -59.45 -52.19 66.66 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.88 1.673 . . . . 0.0 112.28 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -61.47 -49.61 76.12 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.843 0.747 . . . . 0.0 111.227 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' HA ' ' HG ' ' A' ' 53' ' ' LEU . 79.2 mt -61.99 -33.8 75.0 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.26 -36.17 82.3 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.156 1.383 . . . . 0.0 112.646 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -58.04 -36.95 73.47 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.534 1.515 . . . . 0.0 111.021 169.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.717 HD22 ' CD2' ' A' ' 19' ' ' TYR . 2.8 mt -71.06 -46.03 62.71 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.316 0.647 . . . . 0.0 110.865 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.5 -47.17 85.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.82 0.848 . . . . 0.0 111.181 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -43.95 88.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.797 1.639 . . . . 0.0 111.799 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.9 t -66.79 -38.91 87.45 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.814 0.733 . . . . 0.0 112.202 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.03 89.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.821 1.249 . . . . 0.0 113.714 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.37 55.8 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.791 1.636 . . . . 0.0 111.913 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -60.86 116.0 4.12 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.565 -0.709 . . . . 0.0 111.094 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.025 1.33 . . . . 0.0 111.371 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.87 -35.88 66.98 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.812 1.187 . . . . 0.0 113.884 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.77 28.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.035 -0.415 . . . . 0.0 111.801 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.9 t -52.25 -42.42 63.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.266 1.026 . . . . 0.0 112.638 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.16 -50.38 73.91 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.764 1.165 . . . . 0.0 112.602 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -69.48 -41.86 75.59 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.883 -0.511 . . . . 0.0 112.099 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.82 -39.07 90.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.396 1.078 . . . . 0.0 112.375 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.66 89.49 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.785 -1.197 . . . . 0.0 110.872 171.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.54 91.37 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.7 p -72.54 -12.52 61.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.585 1.154 . . . . 0.0 113.076 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.1 26.05 20.07 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.826 1.203 . . . . 0.0 114.033 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.2 64.95 0.73 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.781 2.433 . . . . 0.0 111.469 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -62.02 -27.88 79.87 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.384 2.056 . . . . 0.0 111.857 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.63 -47.32 58.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.603 1.561 . . . . 0.0 113.438 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -77.49 -38.04 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.622 1.101 . . . . 0.0 111.751 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.66 83.93 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.238 0.615 . . . . 0.0 112.017 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -69.25 -41.75 76.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.822 1.249 . . . . 0.0 112.373 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.39 -29.97 62.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.176 0.99 . . . . 0.0 111.43 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -55.83 -41.81 74.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.947 -1.096 . . . . 0.0 113.76 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.0 -25.18 68.27 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.224 -0.923 . . . . 0.0 111.782 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.65 37.1 0.63 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.398 2.279 . . . . 0.0 112.306 173.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -57.28 -6.95 0.47 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.592 1.557 . . . . 0.0 114.284 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' H ' HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -62.42 -13.07 25.68 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 120.347 -1.47 . . . . 0.0 112.724 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -140.93 150.76 60.54 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.05 1.74 . . . . 0.0 111.75 168.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.96 139.05 19.04 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.988 2.459 . . . . 0.0 110.512 165.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.467 HD11 HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -71.57 169.51 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 C-N-CA 125.538 1.535 . . . . 0.0 110.269 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -102.11 94.29 5.68 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.456 -1.402 . . . . 0.0 111.243 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.467 HD13 HD11 ' A' ' 26' ' ' ILE . 14.3 mm -53.7 -40.49 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.696 0.799 . . . . 0.0 111.069 174.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -58.76 -41.01 85.59 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.34 -0.85 . . . . 0.0 112.872 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.9 tp -72.88 -38.48 66.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.246 0.619 . . . . 0.0 111.441 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -41.39 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.403 1.081 . . . . 0.0 112.22 172.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HD3' HG22 ' A' ' 28' ' ' ILE . 14.0 mtpt -63.7 -22.32 66.84 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.644 1.578 . . . . 0.0 114.722 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -94.24 -44.02 8.16 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.52 1.128 . . . . 0.0 112.334 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.87 -34.66 76.4 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.947 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -118.8 33.79 5.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.568 1.547 . . . . 0.0 111.315 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.58 -4.87 9.57 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.576 -1.327 . . . . 0.0 113.678 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -64.76 -15.73 61.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.586 1.554 . . . . 0.0 114.052 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -116.18 160.03 20.96 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.201 1.801 . . . . 0.0 111.724 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.89 156.61 30.42 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.528 1.131 . . . . 0.0 112.405 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -60.68 -24.66 65.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.45 -43.63 93.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.405 1.082 . . . . 0.0 113.035 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.85 -46.6 68.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.32 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.25 -35.4 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.929 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.75 -51.39 69.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 122.38 2.354 . . . . 0.0 111.471 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.92 89.06 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.51 -0.744 . . . . 0.0 112.344 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -48.23 79.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.999 0.919 . . . . 0.0 111.821 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.3 t -54.74 -42.9 72.16 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 127.111 2.164 . . . . 0.0 110.992 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -46.98 86.22 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.208 0.913 . . . . 0.0 112.543 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -45.57 83.96 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.45 -29.31 68.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -69.94 -32.72 71.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.468 -1.395 . . . . 0.0 112.757 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 m -60.38 -38.35 83.67 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.963 1.256 . . . . 0.0 111.245 168.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -41.43 85.62 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.632 0.773 . . . . 0.0 111.511 173.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.81 -46.67 89.62 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.103 0.865 . . . . 0.0 112.159 170.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -55.32 -45.52 76.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.391 1.076 . . . . 0.0 110.825 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.5 t -67.48 -35.89 80.04 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 118.694 0.679 . . . . 0.0 112.775 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.48 87.51 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.7 m -132.63 58.71 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.909 1.684 . . . . 0.0 111.044 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.3 mtp -63.29 82.19 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.495 1.518 . . . . 0.0 112.32 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 pttp . . . . . 0 C--O 1.251 1.177 0 C-N-CA 124.771 1.228 . . . . 0.0 113.523 173.718 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.1 mttt . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -39.13 71.9 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 121.711 2.05 . . . . 0.0 113.05 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.37 3.56 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.216 171.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.09 -37.7 47.35 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.4 -49.14 72.71 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.208 0.913 . . . . 0.0 111.734 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -65.99 -43.21 88.42 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.927 -0.483 . . . . 0.0 111.673 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.13 -37.06 76.33 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.82 1.248 . . . . 0.0 112.39 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -74.31 -37.03 63.72 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.692 -1.255 . . . . 0.0 111.945 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.28 83.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.725 1.21 . . . . 0.0 114.171 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 p -70.83 -12.06 61.32 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.734 1.214 . . . . 0.0 113.063 172.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.12 25.63 23.79 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.061 1.315 . . . . 0.0 113.945 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -114.77 66.41 1.79 Allowed Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.813 2.045 . . . . 0.0 112.764 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -64.24 -25.89 64.6 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.888 2.392 . . . . 0.0 112.758 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -57.11 -35.81 69.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -83.31 -34.58 25.68 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.334 -0.854 . . . . 0.0 111.248 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.1 87.62 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 122.776 0.43 . . . . 0.0 111.731 168.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -64.47 -34.36 78.02 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.141 -0.974 . . . . 0.0 112.972 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -55.27 -37.75 67.68 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.581 1.082 . . . . 0.0 112.136 173.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -40.88 80.02 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.727 0.694 . . . . 0.0 112.719 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.29 -18.34 65.23 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.399 -0.813 . . . . 0.0 111.811 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.74 37.12 1.01 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.81 2.044 . . . . 0.0 112.212 173.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -55.74 -0.96 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.094 1.758 . . . . 0.0 114.971 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -63.52 -26.86 68.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.796 1.638 . . . . 0.0 112.33 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.6 150.53 31.12 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.39 1.476 . . . . 0.0 112.102 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.39 145.04 20.87 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.089 2.526 . . . . 0.0 111.434 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.408 HD11 HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.03 165.92 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.842 0.857 . . . . 0.0 112.274 -176.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.77 96.65 8.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.828 0.851 . . . . 0.0 110.587 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 26' ' ' ILE . 15.7 mm -56.69 -31.82 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.235 -0.915 . . . . 0.0 111.266 174.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -52.37 -34.55 48.17 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.066 1.346 . . . . 0.0 113.901 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -43.95 66.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.534 0.606 . . . . 0.0 111.077 172.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -37.9 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.823 0.738 . . . . 0.0 112.377 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -39.97 89.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.942 0.897 . . . . 0.0 113.032 172.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -74.38 -43.8 54.87 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.752 0.821 . . . . 0.0 112.936 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.68 -29.21 69.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.309 1.044 . . . . 0.0 112.437 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -123.94 42.82 3.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 111.701 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.76 -11.99 14.83 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.865 -1.147 . . . . 0.0 113.603 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -17.63 64.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 114.315 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 pp -119.84 143.26 47.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.25 169.84 8.1 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.891 1.277 . . . . 0.0 113.168 -172.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -29.82 58.26 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.398 -1.287 . . . . 0.0 112.991 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.3 -40.01 92.59 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.479 1.945 . . . . 0.0 114.226 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.94 -49.49 24.39 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.545 -0.722 . . . . 0.0 110.519 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -54.7 -33.2 27.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.34 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.02 -52.92 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 121.346 1.885 . . . . 0.0 110.902 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.51 95.62 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.196 0.907 . . . . 0.0 111.919 174.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.19 -58.44 7.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.403 1.481 . . . . 0.0 111.231 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.47 -37.55 62.78 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 126.966 2.106 . . . . 0.0 112.642 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -51.29 55.84 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.577 1.535 . . . . 0.0 111.551 177.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.26 -44.2 97.64 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.558 0.617 . . . . 0.0 111.678 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.698 ' HA ' HD22 ' A' ' 53' ' ' LEU . 8.9 mp -70.09 -29.59 66.61 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -69.2 -32.24 71.38 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 120.422 -1.424 . . . . 0.0 111.997 168.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -59.63 -34.53 72.9 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.96 1.255 . . . . 0.0 111.806 169.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.52 -43.85 65.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.849 0.86 . . . . 0.0 111.414 174.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.6 -43.24 97.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.226 0.61 . . . . 0.0 111.982 171.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -46.29 85.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.928 1.291 . . . . 0.0 111.116 173.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.85 -35.6 81.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.776 0.717 . . . . 0.0 112.004 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.48 83.9 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.62 49.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.751 1.22 . . . . 0.0 112.654 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.5 mtm -59.88 99.0 0.06 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.318 1.047 . . . . 0.0 112.17 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.709 1.604 . . . . 0.0 112.802 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.68 -35.68 66.3 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 121.76 2.073 . . . . 0.0 114.162 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.52 12.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.13 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.0 t -51.66 -43.84 62.81 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.953 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.76 -47.17 84.69 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.914 0.779 . . . . 0.0 112.533 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.614 -0.679 . . . . 0.0 112.339 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.42 -39.04 82.23 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.564 1.145 . . . . 0.0 111.758 174.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -41.66 90.96 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.3 -0.875 . . . . 0.0 112.149 170.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -41.33 70.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -68.9 -22.6 64.17 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.023 0.829 . . . . 0.0 112.693 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.08 28.63 7.19 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.71 1.148 . . . . 0.0 113.935 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -114.34 62.21 1.19 Allowed Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.799 2.04 . . . . 0.0 112.365 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -64.84 -23.9 61.88 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.938 2.425 . . . . 0.0 112.651 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -32.48 59.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 170.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -88.88 -26.46 21.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.85 0.86 . . . . 0.0 111.737 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.68 85.28 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.971 -1.081 . . . . 0.0 111.46 167.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -29.47 70.79 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.84 0.856 . . . . 0.0 113.005 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.85 -35.01 75.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.814 1.245 . . . . 0.0 111.773 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.733 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -63.92 -43.02 97.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.423 0.689 . . . . 0.0 111.903 173.706 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -19.55 63.75 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.508 -0.745 . . . . 0.0 111.796 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -91.15 35.64 0.92 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.46 1.904 . . . . 0.0 112.997 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -54.79 -3.61 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.327 1.851 . . . . 0.0 115.871 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.13 -29.63 67.54 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.285 1.834 . . . . 0.0 113.053 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -152.72 152.28 28.28 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.426 1.491 . . . . 0.0 111.936 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -79.78 150.7 21.39 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.003 2.469 . . . . 0.0 110.894 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.21 170.13 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.756 0.822 . . . . 0.0 111.349 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.84 103.37 11.47 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.363 -0.835 . . . . 0.0 110.747 165.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.9 mm -53.82 -28.3 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.533 -0.73 . . . . 0.0 111.254 168.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -50.58 -41.7 54.82 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.423 0.689 . . . . 0.0 112.424 173.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.42 -43.28 91.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.509 1.049 . . . . 0.0 111.974 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -46.52 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.148 0.579 . . . . 0.0 111.108 174.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -28.57 64.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.797 1.639 . . . . 0.0 112.979 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -74.98 -43.76 52.12 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.849 1.204 . . . . 0.0 112.227 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.55 -33.51 69.2 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.304 0.502 . . . . 0.0 111.901 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -104.42 29.42 6.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.927 0.891 . . . . 0.0 112.257 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.74 -8.29 41.64 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.765 -1.21 . . . . 0.0 112.534 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -65.91 -34.11 77.37 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.37 1.068 . . . . 0.0 113.25 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 pp -89.39 164.73 14.75 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.505 1.122 . . . . 0.0 111.858 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.47 151.56 44.99 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -21.72 62.97 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -36.45 82.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.938 1.244 . . . . 0.0 113.787 170.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.35 -38.0 68.7 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.463 1.029 . . . . 0.0 110.701 168.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -58.75 -35.33 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.383 1.447 . . . . 0.0 112.174 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.3 -51.28 70.22 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 122.484 2.402 . . . . 0.0 112.085 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.17 95.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.389 0.995 . . . . 0.0 111.946 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.65 -52.43 38.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.996 0.918 . . . . 0.0 111.668 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -53.54 -45.32 69.78 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.66 1.584 . . . . 0.0 111.742 168.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -49.59 76.82 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.562 1.528 . . . . 0.0 112.465 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.97 -40.78 87.54 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.826 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HA ' ' HG ' ' A' ' 53' ' ' LEU . 1.3 mp -73.12 -30.87 63.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.597 0.759 . . . . 0.0 112.423 178.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -62.68 -36.28 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.673 1.189 . . . . 0.0 111.989 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -31.85 68.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.404 1.002 . . . . 0.0 112.268 171.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.733 HD22 ' CD2' ' A' ' 19' ' ' TYR . 3.7 mt -74.05 -44.43 54.29 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 110.874 175.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.83 -37.51 79.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.334 0.654 . . . . 0.0 112.247 171.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -42.51 91.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.898 1.279 . . . . 0.0 112.003 173.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.4 t -65.24 -38.34 90.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.537 1.062 . . . . 0.0 111.851 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.06 83.8 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 113.541 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.17 70.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.494 2.318 . . . . 0.0 108.653 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.1 mtt -72.65 99.29 2.53 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.349 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.147 1.779 . . . . 0.0 111.045 179.205 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 118.035 -0.983 . . . . 0.0 112.403 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -37.71 70.99 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.552 1.524 . . . . 0.0 113.874 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.58 -57.97 9.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 119.25 -0.405 . . . . 0.0 111.167 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 t -48.53 -40.29 26.36 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.252 1.021 . . . . 0.0 112.859 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.1 -48.29 82.34 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.768 1.167 . . . . 0.0 112.201 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -69.78 -41.0 75.69 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.668 -0.645 . . . . 0.0 112.27 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.68 -41.92 96.09 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.12 1.368 . . . . 0.0 111.453 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.51 87.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.363 1.465 . . . . 0.0 112.067 171.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.78 83.06 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 t -68.18 -19.73 64.81 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.27 -0.894 . . . . 0.0 112.596 171.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.21 28.84 8.32 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.792 1.187 . . . . 0.0 113.888 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -114.71 68.78 2.06 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.035 2.134 . . . . 0.0 112.13 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -65.7 -23.89 55.68 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.657 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -55.87 -36.38 67.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -83.11 -30.96 27.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.553 -0.717 . . . . 0.0 111.699 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.23 93.87 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.302 -0.874 . . . . 0.0 112.001 169.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -63.15 -37.23 86.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.355 1.062 . . . . 0.0 112.226 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.87 -33.02 68.25 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.478 1.111 . . . . 0.0 112.477 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -40.5 83.54 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.153 -0.967 . . . . 0.0 112.703 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.68 -16.98 63.66 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.097 -1.002 . . . . 0.0 111.912 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -85.06 28.07 0.73 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.781 2.033 . . . . 0.0 112.703 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -51.52 -6.3 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.076 2.15 . . . . 0.0 115.724 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.3 -28.81 67.11 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.166 1.787 . . . . 0.0 112.936 172.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -151.91 152.29 29.69 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.911 1.284 . . . . 0.0 112.833 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.8 142.87 12.91 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.262 2.641 . . . . 0.0 110.949 170.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.96 170.12 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.673 1.589 . . . . 0.0 111.61 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -85.58 99.5 11.3 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.563 168.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.92 -29.77 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.14 -0.975 . . . . 0.0 112.194 169.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -50.14 -33.87 20.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.519 1.128 . . . . 0.0 113.525 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 tp -73.95 -38.31 64.28 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.624 0.647 . . . . 0.0 111.862 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -39.25 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.366 -0.834 . . . . 0.0 112.334 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.34 68.09 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 171.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -88.2 -46.29 9.38 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.457 1.026 . . . . 0.0 113.046 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.57 -38.86 82.26 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.054 0.942 . . . . 0.0 111.289 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -119.75 66.06 0.81 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.76 1.624 . . . . 0.0 107.956 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -88.39 -5.6 58.2 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.122 1.369 . . . . 0.0 112.128 168.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -69.01 -36.47 77.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.8 1.24 . . . . 0.0 113.511 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.554 HD21 HG12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -72.63 -179.21 2.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.087 2.155 . . . . 0.0 112.814 179.109 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -90.44 155.75 18.7 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.928 -1.107 . . . . 0.0 112.733 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.97 -21.15 60.86 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -49.36 78.15 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 112.825 168.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -36.38 75.03 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.984 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.554 HG12 HD21 ' A' ' 38' ' ' LEU . 18.5 mm -56.14 -36.86 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.077 -1.44 . . . . 0.0 112.637 168.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -47.46 74.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.965 2.166 . . . . 0.0 111.598 177.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -36.14 36.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.052 0.941 . . . . 0.0 113.319 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.64 -50.51 70.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.951 1.7 . . . . 0.0 109.745 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -57.87 -40.21 79.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 125.078 1.351 . . . . 0.0 111.834 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -52.7 63.36 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.494 1.952 . . . . 0.0 112.429 176.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.03 -47.77 83.28 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.231 0.612 . . . . 0.0 111.928 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.624 ' HA ' HD22 ' A' ' 53' ' ' LEU . 9.3 mp -67.5 -31.96 72.44 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.904 0.775 . . . . 0.0 112.265 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -62.39 -34.25 76.35 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.143 -1.598 . . . . 0.0 110.78 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -61.62 -37.1 82.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.58 1.082 . . . . 0.0 112.916 170.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -67.58 -44.94 76.96 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.82 0.848 . . . . 0.0 111.336 176.173 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -62.65 -45.91 90.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.241 1.016 . . . . 0.0 112.518 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -41.59 93.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.423 1.489 . . . . 0.0 111.961 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 11.6 t -67.94 -35.14 77.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.682 0.673 . . . . 0.0 111.547 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.75 92.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.45 55.38 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.637 1.575 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.18 73.86 0.48 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.717 1.607 . . . . 0.0 112.695 176.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.256 1.399 0 C-N-CA 126.399 1.88 . . . . 0.0 114.489 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.502 2.133 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.3 -31.13 72.2 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 120.005 1.275 . . . . 0.0 114.139 -165.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.95 35.28 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.168 -0.957 . . . . 0.0 111.483 167.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -49.6 -40.35 38.63 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.206 1.402 . . . . 0.0 113.054 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.73 -47.5 84.39 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.525 -0.735 . . . . 0.0 112.243 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -67.8 -42.79 81.03 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.509 -1.369 . . . . 0.0 111.925 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.0 -30.23 71.44 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.818 1.247 . . . . 0.0 111.533 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -31.14 29.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 0.0 111.343 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.57 75.58 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.025 1.33 . . . . 0.0 113.678 170.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.7 p -79.45 -12.8 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 24.39 24.11 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 124.346 0.974 . . . . 0.0 114.379 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -117.71 62.5 3.91 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.981 1.312 . . . . 0.0 112.966 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -59.55 -25.92 80.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.097 1.864 . . . . 0.0 112.637 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -47.44 -39.06 14.79 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 166.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -80.87 -36.95 30.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 122.988 0.515 . . . . 0.0 111.658 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.33 74.13 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 120.72 -1.238 . . . . 0.0 111.889 170.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -26.9 67.12 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 117.792 -1.099 . . . . 0.0 113.266 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.54 -28.69 64.05 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.975 1.261 . . . . 0.0 113.161 175.686 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.755 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -64.29 -37.27 86.89 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 121.01 -1.056 . . . . 0.0 111.238 171.078 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.58 -10.25 54.66 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.909 -1.119 . . . . 0.0 111.379 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -100.57 34.25 2.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.952 1.301 . . . . 0.0 112.066 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -53.09 -5.27 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 127.01 2.124 . . . . 0.0 115.298 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.82 -24.08 66.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.616 2.366 . . . . 0.0 113.261 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.77 151.34 24.81 Favored Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 125.457 1.503 . . . . 0.0 113.457 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -78.95 132.95 10.88 Favored 'Trans proline' 0 C--N 1.363 1.34 0 C-N-CA 121.895 1.73 . . . . 0.0 112.568 168.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.08 157.33 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.059 1.744 . . . . 0.0 112.98 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -76.75 113.51 14.49 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.135 0.88 . . . . 0.0 111.332 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 mm -55.64 -34.0 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 120.978 -1.076 . . . . 0.0 110.361 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -37.63 44.96 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.777 1.231 . . . . 0.0 113.531 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.42 97.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.319 0.647 . . . . 0.0 111.145 176.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.2 67.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.753 0.821 . . . . 0.0 111.985 172.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -27.98 69.54 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.139 1.336 . . . . 0.0 111.034 170.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -46.39 17.67 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.323 1.874 . . . . 0.0 111.813 172.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.12 -35.26 78.2 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.109 -0.995 . . . . 0.0 111.939 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -125.11 78.6 1.72 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.81 -11.13 27.33 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.502 1.121 . . . . 0.0 113.563 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -66.72 -30.7 71.0 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.454 -2.029 . . . . 0.0 114.49 -174.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 179.21 7.55 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 126.57 1.948 . . . . 0.0 113.491 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -85.71 157.14 20.37 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.57 -1.331 . . . . 0.0 112.932 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -22.92 62.44 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 171.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -42.09 99.6 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.984 -1.072 . . . . 0.0 112.964 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.82 -35.88 67.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.532 0.605 . . . . 0.0 111.22 172.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.8 mm -56.78 -37.82 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.484 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -57.45 -42.12 81.87 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 122.274 2.306 . . . . 0.0 112.582 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.77 -39.91 50.06 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.79 -51.2 65.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.224 1.41 . . . . 0.0 110.138 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -57.21 -50.35 73.15 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 125.452 1.501 . . . . 0.0 111.481 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -48.79 73.43 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.373 1.897 . . . . 0.0 112.088 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -52.63 59.14 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.41 -28.15 68.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 120.166 1.348 . . . . 0.0 111.917 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -73.55 -30.62 63.17 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 119.202 -2.186 . . . . 0.0 113.11 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -59.4 -32.34 70.08 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.323 0.965 . . . . 0.0 113.083 165.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.755 HD22 ' CD2' ' A' ' 19' ' ' TYR . 4.5 mt -69.69 -42.2 74.41 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.653 0.781 . . . . 0.0 111.567 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.7 -40.73 79.88 Favored 'General case' 0 CA--C 1.565 1.536 0 O-C-N 121.529 -0.732 . . . . 0.0 112.514 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -42.63 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.842 1.257 . . . . 0.0 111.202 166.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.5 t -65.09 -37.52 87.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 119.452 1.024 . . . . 0.0 113.016 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.59 70.82 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.769 1.228 . . . . 0.0 113.155 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.37 52.42 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.731 1.213 . . . . 0.0 112.186 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.55 110.22 0.94 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.602 -1.311 . . . . 0.0 111.143 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.283 2.828 0 C-N-CA 126.681 1.993 . . . . 0.0 112.494 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.57 -61.45 2.49 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.873 0.869 . . . . 0.0 112.097 167.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.1 m -53.94 -42.11 68.5 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.558 1.072 . . . . 0.0 113.649 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.84 -44.64 76.71 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.308 0.643 . . . . 0.0 112.279 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -66.64 -40.19 88.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.413 0.685 . . . . 0.0 111.507 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.55 -42.05 91.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.129 1.372 . . . . 0.0 111.837 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.62 82.87 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.059 -1.026 . . . . 0.0 112.214 169.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.04 77.69 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -70.02 -24.77 63.33 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.642 1.11 . . . . 0.0 112.8 171.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.55 29.74 4.61 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.464 1.031 . . . . 0.0 113.86 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -115.08 62.65 1.51 Allowed Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 128.353 2.661 . . . . 0.0 111.324 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -62.67 -27.01 75.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.26 1.973 . . . . 0.0 112.354 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -52.97 -43.23 66.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.43 1.492 . . . . 0.0 113.121 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -79.45 -29.03 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.124 -0.985 . . . . 0.0 112.12 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.16 88.58 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.463 -0.773 . . . . 0.0 111.388 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.99 -35.14 77.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 112.127 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 26' ' ' ILE . 6.4 tt -57.01 -29.89 63.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.239 1.016 . . . . 0.0 112.88 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.91 -38.21 78.39 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.219 0.918 . . . . 0.0 112.706 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -68.29 -16.08 63.82 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.345 -0.847 . . . . 0.0 112.132 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -92.75 34.45 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.721 2.008 . . . . 0.0 111.019 174.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -59.0 4.6 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.225 1.81 . . . . 0.0 115.207 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.536 ' H ' HD22 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -67.29 -22.15 65.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.363 -1.461 . . . . 0.0 113.094 175.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -149.23 147.45 23.61 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.344 1.458 . . . . 0.0 112.201 171.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -79.4 152.04 23.22 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.187 2.592 . . . . 0.0 110.609 169.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.489 HG21 HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -100.47 161.26 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 121.643 0.735 . . . . 0.0 112.738 -174.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -70.93 87.83 0.74 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.717 0.807 . . . . 0.0 110.551 168.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.6 mm -48.07 -42.5 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.798 1.239 . . . . 0.0 111.159 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 t -61.49 -35.09 76.7 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.43 -44.68 74.45 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.197 -0.939 . . . . 0.0 110.461 172.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.95 -41.48 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.242 0.617 . . . . 0.0 111.581 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -58.9 -24.65 62.58 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.867 1.667 . . . . 0.0 114.575 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -36.22 41.79 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.542 1.519 . . . . 0.0 112.866 168.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.44 -26.0 67.0 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.699 ' CE1' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -129.75 31.5 4.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.876 1.27 . . . . 0.0 112.893 177.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.05 -11.62 2.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -60.84 -28.63 68.96 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.914 1.686 . . . . 0.0 114.47 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.92 160.76 14.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.373 1.069 . . . . 0.0 113.54 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.23 155.95 39.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.827 0.851 . . . . 0.0 112.62 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -58.07 -14.85 7.47 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -47.05 88.25 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.808 1.185 . . . . 0.0 113.248 167.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.05 -25.83 39.97 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.06 -46.77 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.517 163.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.81 -44.36 90.81 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 121.059 1.754 . . . . 0.0 112.531 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.23 66.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.689 0.677 . . . . 0.0 111.799 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.699 HD22 ' CE1' ' A' ' 35' ' ' HIS . 2.9 tp -60.87 -47.34 86.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.539 0.736 . . . . 0.0 112.121 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.6 m -57.0 -45.51 82.98 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 125.032 1.333 . . . . 0.0 111.469 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -46.31 84.93 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 121.09 1.768 . . . . 0.0 111.81 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -69.02 -47.53 65.21 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 53' ' ' LEU . 87.8 mt -68.22 -30.41 69.47 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 112.725 176.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.31 -29.36 64.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.116 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.2 m -60.92 -42.26 97.74 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.587 1.994 . . . . 0.0 111.297 166.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -64.54 -46.82 81.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.755 0.822 . . . . 0.0 111.857 175.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.77 -42.45 99.7 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.564 0.746 . . . . 0.0 112.62 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -40.26 75.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.954 1.701 . . . . 0.0 111.358 175.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.57 -37.21 71.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.435 0.694 . . . . 0.0 111.612 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.58 84.34 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.598 1.159 . . . . 0.0 113.793 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.3 m -132.52 52.99 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.73 1.612 . . . . 0.0 112.068 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.33 62.78 0.06 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.885 2.074 . . . . 0.0 114.85 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mttt . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.062 1.745 . . . . 0.0 113.141 171.607 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.42 -57.99 10.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.956 0.903 . . . . 0.0 111.742 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -54.23 -39.9 67.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 112.474 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.49 -49.22 77.65 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.696 1.134 . . . . 0.0 111.976 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -64.7 -45.66 85.66 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.945 -0.472 . . . . 0.0 111.959 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.97 -39.99 91.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.955 1.302 . . . . 0.0 112.379 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -40.08 92.47 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.574 -1.328 . . . . 0.0 111.48 173.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.05 76.15 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 p -72.31 -14.04 61.65 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.261 1.024 . . . . 0.0 113.353 173.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.55 26.96 12.27 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.783 1.183 . . . . 0.0 113.95 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -112.57 67.67 0.95 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.279 2.232 . . . . 0.0 111.671 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.45 -29.5 71.45 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.812 2.341 . . . . 0.0 112.015 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -51.85 -45.86 64.18 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.329 1.452 . . . . 0.0 113.544 170.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -79.36 -38.88 33.97 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.515 -0.741 . . . . 0.0 111.099 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.7 76.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.791 0.836 . . . . 0.0 112.141 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -72.78 -36.1 67.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.955 1.302 . . . . 0.0 112.895 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -37.8 62.4 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.199 0.909 . . . . 0.0 111.68 172.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -38.82 64.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 174.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -19.88 64.91 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.981 178.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.8 34.93 1.05 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.3 2.24 . . . . 0.0 111.854 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -56.27 0.06 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.094 1.758 . . . . 0.0 115.102 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.95 -24.85 59.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.299 1.839 . . . . 0.0 112.801 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -144.8 146.12 30.42 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 111.649 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -78.96 152.72 24.93 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.136 2.558 . . . . 0.0 111.869 168.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.71 165.7 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.746 1.218 . . . . 0.0 111.786 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.94 101.19 13.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.666 -0.646 . . . . 0.0 110.604 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -54.56 -39.54 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.98 0.912 . . . . 0.0 110.524 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -56.53 -34.0 66.61 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.284 1.034 . . . . 0.0 113.395 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -41.05 63.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.795 0.838 . . . . 0.0 111.339 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.82 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 112.326 172.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -25.19 64.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 113.319 171.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -86.75 -44.63 11.63 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.556 1.071 . . . . 0.0 111.98 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -61.35 -37.3 82.83 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.477 0.711 . . . . 0.0 112.117 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.678 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.2 m80 -114.83 46.73 1.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.674 1.59 . . . . 0.0 109.92 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -71.62 -10.69 60.15 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -71.67 -23.09 61.6 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.634 1.574 . . . . 0.0 114.736 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.744 HD21 HG12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -80.1 -173.22 3.84 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.34 1.856 . . . . 0.0 112.759 -178.344 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.23 159.4 15.58 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.175 -0.953 . . . . 0.0 112.724 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.27 -23.6 37.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.54 -46.51 88.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.831 0.852 . . . . 0.0 112.843 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.77 72.12 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 117.342 -1.314 . . . . 0.0 110.506 172.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.744 HG12 HD21 ' A' ' 38' ' ' LEU . 30.7 mm -56.88 -32.64 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.541 1.519 . . . . 0.0 113.345 173.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.02 -49.56 75.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 122.003 2.183 . . . . 0.0 111.682 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.73 80.22 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.462 -0.774 . . . . 0.0 112.57 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tp -64.73 -50.72 65.77 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 125.71 1.604 . . . . 0.0 111.156 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.04 -45.76 86.45 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.247 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.82 -49.39 77.91 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.084 1.766 . . . . 0.0 112.205 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 mmt-85 -66.87 -50.25 63.07 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.756 0.822 . . . . 0.0 111.832 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.81 -31.06 71.44 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.977 -1.077 . . . . 0.0 113.126 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.28 -39.57 92.77 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 120.577 -1.327 . . . . 0.0 110.987 167.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -57.46 -36.87 71.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.766 1.166 . . . . 0.0 111.978 170.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -44.09 86.15 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.837 0.744 . . . . 0.0 111.668 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.11 -44.16 96.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.214 0.605 . . . . 0.0 112.241 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -41.86 96.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.212 1.405 . . . . 0.0 111.572 175.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.15 -34.93 75.75 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.016 0.825 . . . . 0.0 111.826 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.29 93.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.531 1.132 . . . . 0.0 113.681 172.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.26 54.78 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.151 1.38 . . . . 0.0 112.068 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -71.94 61.64 0.42 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.707 2.003 . . . . 0.0 113.89 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.634 1.573 . . . . 0.0 113.626 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 N--CA 1.485 1.277 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -57.01 14.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.969 -0.457 . . . . 0.0 111.312 172.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.53 -40.89 62.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.081 0.952 . . . . 0.0 112.674 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -62.53 -49.36 75.64 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.681 1.128 . . . . 0.0 112.083 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -67.02 -43.01 83.95 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.804 -0.56 . . . . 0.0 111.836 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.29 -39.31 92.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 112.342 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.76 98.08 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.513 -1.367 . . . . 0.0 111.131 171.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.81 80.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -72.57 -13.02 61.3 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.534 1.133 . . . . 0.0 113.079 173.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.02 26.43 16.45 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.076 1.322 . . . . 0.0 114.143 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -114.18 63.5 1.24 Allowed Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 127.328 2.251 . . . . 0.0 112.852 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -64.81 -25.36 60.65 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.916 2.411 . . . . 0.0 112.729 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -57.48 -31.23 65.77 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -85.1 -31.28 23.43 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.221 -0.925 . . . . 0.0 111.462 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.17 93.17 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.147 -0.97 . . . . 0.0 111.438 166.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.2 -35.96 82.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.835 0.854 . . . . 0.0 112.748 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.54 HD13 ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -57.34 -35.25 69.66 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.645 1.111 . . . . 0.0 112.164 176.733 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.418 ' CG ' ' HG ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -61.61 -40.03 93.37 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.391 0.615 . . . . 0.0 112.438 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.28 -15.32 59.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.008 0.923 . . . . 0.0 112.319 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.72 35.81 1.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.787 2.035 . . . . 0.0 111.837 175.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -52.36 -3.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.248 2.219 . . . . 0.0 115.596 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.61 -28.39 67.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.704 2.001 . . . . 0.0 112.727 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.11 151.49 34.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.041 1.337 . . . . 0.0 112.274 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -77.83 141.03 18.89 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.234 2.623 . . . . 0.0 111.005 170.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.54 ' CG2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -81.14 169.51 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-O 121.669 0.747 . . . . 0.0 111.917 -179.397 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -87.36 98.76 11.53 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.614 -0.679 . . . . 0.0 110.174 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.0 mm -53.97 -36.04 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.483 -0.761 . . . . 0.0 110.545 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -52.74 -46.08 67.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.677 0.791 . . . . 0.0 112.126 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.91 -40.85 83.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.468 0.707 . . . . 0.0 111.357 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -47.48 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.057 0.844 . . . . 0.0 111.194 174.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -35.93 81.12 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.276 1.83 . . . . 0.0 112.54 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -71.99 -43.83 64.49 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.393 0.997 . . . . 0.0 112.808 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.89 -32.73 71.22 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.597 0.759 . . . . 0.0 111.934 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -109.33 33.55 4.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 111.517 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -6.76 10.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.882 -1.136 . . . . 0.0 113.144 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -62.65 -17.04 59.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.864 1.266 . . . . 0.0 113.943 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -115.06 159.45 20.82 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.978 1.711 . . . . 0.0 111.751 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.6 161.6 30.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.598 0.759 . . . . 0.0 112.627 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 mpp_? -61.13 -27.2 68.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.062 -0.971 . . . . 0.0 113.563 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -33.23 74.97 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.319 1.418 . . . . 0.0 113.895 171.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.69 -47.58 53.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.15 0.886 . . . . 0.0 110.527 168.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.8 mm -56.36 -32.25 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 117.771 -1.109 . . . . 0.0 112.779 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.78 -50.34 71.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 121.847 2.112 . . . . 0.0 111.793 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.49 93.68 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.618 0.645 . . . . 0.0 112.028 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -56.15 17.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.699 1.2 . . . . 0.0 111.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.72 -42.57 65.0 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 126.123 1.769 . . . . 0.0 111.678 170.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.58 80.4 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.192 1.36 . . . . 0.0 112.392 176.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -66.56 -45.32 79.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.731 0.696 . . . . 0.0 112.102 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.5 mt -70.34 -26.22 63.65 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -66.59 -35.19 79.6 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.861 -1.15 . . . . 0.0 111.568 167.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -61.98 -39.1 91.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.956 1.253 . . . . 0.0 111.574 169.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HG ' ' CG ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -65.83 -46.0 80.19 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.934 0.894 . . . . 0.0 111.716 174.591 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.9 -41.81 98.34 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.627 0.771 . . . . 0.0 111.804 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.81 86.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.91 1.284 . . . . 0.0 111.609 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.79 -39.6 91.12 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.658 0.663 . . . . 0.0 112.177 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.15 84.85 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.68 51.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.285 1.434 . . . . 0.0 112.214 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.5 mtt -55.87 111.02 0.82 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.134 0.974 . . . . 0.0 111.968 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.729 2.012 . . . . 0.0 112.209 176.342 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.67 -59.09 5.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.689 0.796 . . . . 0.0 111.623 169.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -53.6 -40.66 65.87 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -66.24 -48.47 70.43 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.02 0.827 . . . . 0.0 112.351 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -63.09 -43.24 99.05 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.09 0.556 . . . . 0.0 111.399 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.25 -35.14 76.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.929 1.292 . . . . 0.0 112.495 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.536 -1.353 . . . . 0.0 111.45 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.81 71.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.849 1.26 . . . . 0.0 114.296 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.7 p -70.15 -14.03 62.46 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.684 1.194 . . . . 0.0 113.141 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.97 26.54 18.94 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.998 1.285 . . . . 0.0 113.763 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -114.07 62.1 1.09 Allowed Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 127.535 2.334 . . . . 0.0 112.555 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -64.19 -26.16 64.9 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 122.586 2.191 . . . . 0.0 112.535 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -57.83 -36.63 72.53 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -80.26 -34.57 36.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.204 -0.935 . . . . 0.0 110.485 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.21 96.62 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.722 -0.611 . . . . 0.0 111.715 169.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.03 -34.23 77.53 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.25 -0.906 . . . . 0.0 112.962 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -55.66 -37.34 68.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.19 0.904 . . . . 0.0 112.326 175.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -39.07 71.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.575 0.625 . . . . 0.0 112.556 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -18.17 64.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.669 0.788 . . . . 0.0 112.217 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -93.14 37.45 1.03 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.676 1.99 . . . . 0.0 111.721 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -56.78 1.99 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.631 1.972 . . . . 0.0 114.803 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.47 -24.26 67.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.151 1.78 . . . . 0.0 112.19 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.42 149.53 29.17 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.032 1.333 . . . . 0.0 112.062 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.29 143.81 20.09 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.456 2.77 . . . . 0.0 111.202 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.451 ' CG2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -88.23 167.07 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 O-C-N 121.428 -0.795 . . . . 0.0 111.642 -178.095 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -82.16 99.88 9.5 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.552 -0.717 . . . . 0.0 110.28 168.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.19 -32.48 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 121.267 -0.896 . . . . 0.0 110.657 168.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -54.8 -43.59 73.02 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.64 -41.99 87.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.246 1.018 . . . . 0.0 112.279 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -52.17 60.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.073 0.549 . . . . 0.0 110.617 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -38.6 71.53 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.002 1.721 . . . . 0.0 112.044 173.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -38.46 91.07 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.069 1.347 . . . . 0.0 113.668 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.58 -29.76 69.2 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.613 0.765 . . . . 0.0 112.551 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -125.21 49.76 1.85 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.183 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.35 31.89 0.18 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.242 1.417 . . . . 0.0 111.95 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -123.01 -14.73 7.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.507 1.923 . . . . 0.0 113.227 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.28 165.9 11.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.811 1.644 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 p30 -69.04 160.61 30.67 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 122.513 1.149 . . . . 0.0 113.654 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -17.73 60.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.714 171.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.72 71.44 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.919 1.236 . . . . 0.0 112.31 172.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.12 90.81 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.547 -0.721 . . . . 0.0 111.203 171.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.6 mm -60.44 -38.29 77.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-O 117.557 -1.211 . . . . 0.0 111.412 170.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.64 -43.63 98.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 122.604 2.456 . . . . 0.0 111.718 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.41 85.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.967 0.803 . . . . 0.0 112.033 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 tp -70.53 -51.16 30.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.4 t -52.05 -43.3 63.73 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 126.116 1.766 . . . . 0.0 112.269 166.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -61.3 -55.0 36.79 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.508 1.958 . . . . 0.0 112.416 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -62.03 -43.67 98.35 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.625 0.648 . . . . 0.0 111.396 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' HA ' HD22 ' A' ' 53' ' ' LEU . 70.1 mt -70.36 -31.09 68.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.347 1.059 . . . . 0.0 113.42 175.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -67.84 -33.51 74.91 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 120.467 -1.395 . . . . 0.0 112.092 167.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -60.53 -37.81 82.38 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.356 1.434 . . . . 0.0 111.474 170.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -67.55 -45.7 74.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.933 0.893 . . . . 0.0 111.703 173.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.87 -44.1 97.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.464 0.706 . . . . 0.0 112.226 172.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -42.47 91.56 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.696 1.599 . . . . 0.0 111.209 176.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.1 -34.62 76.74 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.053 0.842 . . . . 0.0 112.001 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.02 91.91 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.72 1.208 . . . . 0.0 113.91 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.03 57.93 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.125 1.77 . . . . 0.0 111.14 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -73.49 44.95 0.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 127.174 2.19 . . . . 0.0 114.637 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--O 1.256 1.403 0 C-N-CA 128.849 2.86 . . . . 0.0 113.37 -175.113 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.84 -55.11 36.89 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.984 -0.447 . . . . 0.0 111.471 171.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.68 -40.87 63.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.786 0.834 . . . . 0.0 112.571 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.83 -49.01 79.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.844 1.202 . . . . 0.0 112.368 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -68.72 -43.48 75.87 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.739 -0.6 . . . . 0.0 112.151 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.86 -38.79 86.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.706 1.202 . . . . 0.0 112.239 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.79 91.1 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.499 -1.376 . . . . 0.0 111.344 171.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.13 -37.96 81.67 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.1 p -71.82 -12.35 61.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.639 1.175 . . . . 0.0 113.123 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.36 26.96 19.45 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.986 1.279 . . . . 0.0 114.08 177.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -114.64 66.99 1.81 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.191 2.196 . . . . 0.0 112.632 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.19 -28.12 56.25 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.995 2.464 . . . . 0.0 112.876 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -56.52 -33.08 65.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -85.25 -27.48 26.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.355 -0.841 . . . . 0.0 111.89 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.1 95.35 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.086 -1.009 . . . . 0.0 111.811 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -63.53 -33.94 76.7 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.908 0.883 . . . . 0.0 112.797 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.01 -38.04 72.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.486 0.715 . . . . 0.0 111.635 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.717 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -57.32 -48.71 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.949 0.795 . . . . 0.0 111.53 173.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.88 -16.55 43.08 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.429 1.091 . . . . 0.0 112.902 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.43 46.19 1.27 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.439 1.895 . . . . 0.0 112.079 170.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.12 -8.3 0.66 Allowed 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.386 -1.446 . . . . 0.0 114.422 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.15 -38.63 71.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.974 2.51 . . . . 0.0 113.082 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -152.62 148.44 20.71 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.989 1.316 . . . . 0.0 112.127 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.12 153.6 28.53 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.278 2.652 . . . . 0.0 110.762 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.03 167.83 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.888 0.852 . . . . 0.0 112.168 -176.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -75.3 97.46 3.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.482 165.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.3 -31.17 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.373 -0.83 . . . . 0.0 110.661 167.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -51.47 -45.48 62.76 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.652 -0.655 . . . . 0.0 112.311 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.88 -42.87 94.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.813 0.733 . . . . 0.0 111.844 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -60.87 -42.73 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.121 0.873 . . . . 0.0 111.656 177.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -32.53 71.95 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -76.27 -39.48 54.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.29 1.036 . . . . 0.0 112.72 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.71 -35.46 65.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.755 0.822 . . . . 0.0 111.645 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -101.58 33.24 3.03 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.572 1.149 . . . . 0.0 111.937 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -11.77 36.69 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 120.485 -1.384 . . . . 0.0 113.626 173.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -62.82 -15.26 53.36 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.548 1.539 . . . . 0.0 114.594 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -116.72 159.36 22.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.935 1.694 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -67.19 158.37 31.47 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.535 0.683 . . . . 0.0 112.681 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -19.25 58.88 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 171.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.46 99.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.341 1.056 . . . . 0.0 112.899 169.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.18 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.337 172.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.78 -34.15 36.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 CA-C-O 117.479 -1.248 . . . . 0.0 112.11 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.01 -48.81 80.16 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.566 2.439 . . . . 0.0 112.519 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.09 -37.73 78.6 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.779 0.718 . . . . 0.0 112.395 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -55.38 13.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.931 1.293 . . . . 0.0 111.423 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.9 -42.37 62.68 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 126.494 1.917 . . . . 0.0 111.675 167.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -59.45 -52.19 66.66 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.88 1.673 . . . . 0.0 112.28 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -61.47 -49.61 76.12 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.843 0.747 . . . . 0.0 111.227 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' HA ' ' HG ' ' A' ' 53' ' ' LEU . 79.2 mt -61.99 -33.8 75.0 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.26 -36.17 82.3 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.156 1.383 . . . . 0.0 112.646 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -58.04 -36.95 73.47 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.534 1.515 . . . . 0.0 111.021 169.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.717 HD22 ' CD2' ' A' ' 19' ' ' TYR . 2.8 mt -71.06 -46.03 62.71 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.316 0.647 . . . . 0.0 110.865 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.5 -47.17 85.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.82 0.848 . . . . 0.0 111.181 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -43.95 88.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.797 1.639 . . . . 0.0 111.799 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.9 t -66.79 -38.91 87.45 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.814 0.733 . . . . 0.0 112.202 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.03 89.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.821 1.249 . . . . 0.0 113.714 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.37 55.8 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.791 1.636 . . . . 0.0 111.913 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -60.86 116.0 4.12 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.565 -0.709 . . . . 0.0 111.094 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.025 1.33 . . . . 0.0 111.371 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.77 28.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.035 -0.415 . . . . 0.0 111.801 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.9 t -52.25 -42.42 63.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.266 1.026 . . . . 0.0 112.638 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.16 -50.38 73.91 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.764 1.165 . . . . 0.0 112.602 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -69.48 -41.86 75.59 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.883 -0.511 . . . . 0.0 112.099 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.82 -39.07 90.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.396 1.078 . . . . 0.0 112.375 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.66 89.49 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.785 -1.197 . . . . 0.0 110.872 171.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.54 91.37 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.7 p -72.54 -12.52 61.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.585 1.154 . . . . 0.0 113.076 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.1 26.05 20.07 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.826 1.203 . . . . 0.0 114.033 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.2 64.95 0.73 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.781 2.433 . . . . 0.0 111.469 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -62.02 -27.88 79.87 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.384 2.056 . . . . 0.0 111.857 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.63 -47.32 58.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.603 1.561 . . . . 0.0 113.438 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -77.49 -38.04 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.622 1.101 . . . . 0.0 111.751 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.66 83.93 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.238 0.615 . . . . 0.0 112.017 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -69.25 -41.75 76.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.822 1.249 . . . . 0.0 112.373 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.39 -29.97 62.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.176 0.99 . . . . 0.0 111.43 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -55.83 -41.81 74.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.947 -1.096 . . . . 0.0 113.76 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.0 -25.18 68.27 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.224 -0.923 . . . . 0.0 111.782 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.65 37.1 0.63 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.398 2.279 . . . . 0.0 112.306 173.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -57.28 -6.95 0.47 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.592 1.557 . . . . 0.0 114.284 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' H ' HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -62.42 -13.07 25.68 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 120.347 -1.47 . . . . 0.0 112.724 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -140.93 150.76 60.54 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.05 1.74 . . . . 0.0 111.75 168.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.96 139.05 19.04 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.988 2.459 . . . . 0.0 110.512 165.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.467 HD11 HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -71.57 169.51 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 C-N-CA 125.538 1.535 . . . . 0.0 110.269 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -102.11 94.29 5.68 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.456 -1.402 . . . . 0.0 111.243 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.467 HD13 HD11 ' A' ' 26' ' ' ILE . 14.3 mm -53.7 -40.49 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.696 0.799 . . . . 0.0 111.069 174.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -58.76 -41.01 85.59 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.34 -0.85 . . . . 0.0 112.872 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.9 tp -72.88 -38.48 66.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.246 0.619 . . . . 0.0 111.441 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -41.39 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.403 1.081 . . . . 0.0 112.22 172.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HD3' HG22 ' A' ' 28' ' ' ILE . 14.0 mtpt -63.7 -22.32 66.84 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.644 1.578 . . . . 0.0 114.722 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -94.24 -44.02 8.16 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.52 1.128 . . . . 0.0 112.334 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.87 -34.66 76.4 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.947 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -118.8 33.79 5.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.568 1.547 . . . . 0.0 111.315 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.58 -4.87 9.57 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.576 -1.327 . . . . 0.0 113.678 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -64.76 -15.73 61.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.586 1.554 . . . . 0.0 114.052 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -116.18 160.03 20.96 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.201 1.801 . . . . 0.0 111.724 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.89 156.61 30.42 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.528 1.131 . . . . 0.0 112.405 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -60.68 -24.66 65.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.45 -43.63 93.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.405 1.082 . . . . 0.0 113.035 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.85 -46.6 68.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.32 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.25 -35.4 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.929 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.75 -51.39 69.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 122.38 2.354 . . . . 0.0 111.471 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.92 89.06 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.51 -0.744 . . . . 0.0 112.344 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -48.23 79.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.999 0.919 . . . . 0.0 111.821 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.3 t -54.74 -42.9 72.16 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 127.111 2.164 . . . . 0.0 110.992 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -46.98 86.22 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.208 0.913 . . . . 0.0 112.543 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -45.57 83.96 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.45 -29.31 68.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -69.94 -32.72 71.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.468 -1.395 . . . . 0.0 112.757 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 m -60.38 -38.35 83.67 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.963 1.256 . . . . 0.0 111.245 168.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -41.43 85.62 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.632 0.773 . . . . 0.0 111.511 173.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.81 -46.67 89.62 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.103 0.865 . . . . 0.0 112.159 170.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -55.32 -45.52 76.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.391 1.076 . . . . 0.0 110.825 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.5 t -67.48 -35.89 80.04 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 118.694 0.679 . . . . 0.0 112.775 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.48 87.51 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.7 m -132.63 58.71 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.909 1.684 . . . . 0.0 111.044 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.3 mtp -63.29 82.19 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.495 1.518 . . . . 0.0 112.32 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 pttp . . . . . 0 C--O 1.251 1.177 0 C-N-CA 124.771 1.228 . . . . 0.0 113.523 173.718 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.37 3.56 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.216 171.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.09 -37.7 47.35 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.4 -49.14 72.71 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.208 0.913 . . . . 0.0 111.734 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -65.99 -43.21 88.42 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.927 -0.483 . . . . 0.0 111.673 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.13 -37.06 76.33 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.82 1.248 . . . . 0.0 112.39 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -74.31 -37.03 63.72 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.692 -1.255 . . . . 0.0 111.945 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.28 83.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.725 1.21 . . . . 0.0 114.171 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 p -70.83 -12.06 61.32 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.734 1.214 . . . . 0.0 113.063 172.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.12 25.63 23.79 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.061 1.315 . . . . 0.0 113.945 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -114.77 66.41 1.79 Allowed Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.813 2.045 . . . . 0.0 112.764 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -64.24 -25.89 64.6 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.888 2.392 . . . . 0.0 112.758 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -57.11 -35.81 69.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -83.31 -34.58 25.68 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.334 -0.854 . . . . 0.0 111.248 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.1 87.62 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 122.776 0.43 . . . . 0.0 111.731 168.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -64.47 -34.36 78.02 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.141 -0.974 . . . . 0.0 112.972 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -55.27 -37.75 67.68 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.581 1.082 . . . . 0.0 112.136 173.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -40.88 80.02 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.727 0.694 . . . . 0.0 112.719 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.29 -18.34 65.23 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.399 -0.813 . . . . 0.0 111.811 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.74 37.12 1.01 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.81 2.044 . . . . 0.0 112.212 173.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -55.74 -0.96 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.094 1.758 . . . . 0.0 114.971 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -63.52 -26.86 68.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.796 1.638 . . . . 0.0 112.33 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.6 150.53 31.12 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.39 1.476 . . . . 0.0 112.102 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.39 145.04 20.87 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.089 2.526 . . . . 0.0 111.434 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.408 HD11 HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.03 165.92 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.842 0.857 . . . . 0.0 112.274 -176.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.77 96.65 8.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.828 0.851 . . . . 0.0 110.587 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 26' ' ' ILE . 15.7 mm -56.69 -31.82 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.235 -0.915 . . . . 0.0 111.266 174.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -52.37 -34.55 48.17 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.066 1.346 . . . . 0.0 113.901 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -43.95 66.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.534 0.606 . . . . 0.0 111.077 172.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -37.9 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.823 0.738 . . . . 0.0 112.377 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -39.97 89.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.942 0.897 . . . . 0.0 113.032 172.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -74.38 -43.8 54.87 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.752 0.821 . . . . 0.0 112.936 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.68 -29.21 69.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.309 1.044 . . . . 0.0 112.437 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -123.94 42.82 3.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 111.701 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.76 -11.99 14.83 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.865 -1.147 . . . . 0.0 113.603 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -17.63 64.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 114.315 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 pp -119.84 143.26 47.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.25 169.84 8.1 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.891 1.277 . . . . 0.0 113.168 -172.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -29.82 58.26 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.398 -1.287 . . . . 0.0 112.991 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.3 -40.01 92.59 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.479 1.945 . . . . 0.0 114.226 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.94 -49.49 24.39 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.545 -0.722 . . . . 0.0 110.519 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -54.7 -33.2 27.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.34 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.02 -52.92 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 121.346 1.885 . . . . 0.0 110.902 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.51 95.62 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.196 0.907 . . . . 0.0 111.919 174.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.19 -58.44 7.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.403 1.481 . . . . 0.0 111.231 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.47 -37.55 62.78 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 126.966 2.106 . . . . 0.0 112.642 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -51.29 55.84 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.577 1.535 . . . . 0.0 111.551 177.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.26 -44.2 97.64 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.558 0.617 . . . . 0.0 111.678 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.698 ' HA ' HD22 ' A' ' 53' ' ' LEU . 8.9 mp -70.09 -29.59 66.61 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -69.2 -32.24 71.38 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 120.422 -1.424 . . . . 0.0 111.997 168.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -59.63 -34.53 72.9 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.96 1.255 . . . . 0.0 111.806 169.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.52 -43.85 65.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.849 0.86 . . . . 0.0 111.414 174.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.6 -43.24 97.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.226 0.61 . . . . 0.0 111.982 171.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -46.29 85.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.928 1.291 . . . . 0.0 111.116 173.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.85 -35.6 81.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.776 0.717 . . . . 0.0 112.004 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.48 83.9 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.62 49.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.751 1.22 . . . . 0.0 112.654 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.5 mtm -59.88 99.0 0.06 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.318 1.047 . . . . 0.0 112.17 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.709 1.604 . . . . 0.0 112.802 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.52 12.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.13 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.0 t -51.66 -43.84 62.81 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.953 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.76 -47.17 84.69 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.914 0.779 . . . . 0.0 112.533 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.614 -0.679 . . . . 0.0 112.339 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.42 -39.04 82.23 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.564 1.145 . . . . 0.0 111.758 174.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -41.66 90.96 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.3 -0.875 . . . . 0.0 112.149 170.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -41.33 70.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -68.9 -22.6 64.17 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.023 0.829 . . . . 0.0 112.693 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.08 28.63 7.19 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.71 1.148 . . . . 0.0 113.935 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -114.34 62.21 1.19 Allowed Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.799 2.04 . . . . 0.0 112.365 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -64.84 -23.9 61.88 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.938 2.425 . . . . 0.0 112.651 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -32.48 59.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 170.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -88.88 -26.46 21.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.85 0.86 . . . . 0.0 111.737 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.68 85.28 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.971 -1.081 . . . . 0.0 111.46 167.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -29.47 70.79 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.84 0.856 . . . . 0.0 113.005 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.85 -35.01 75.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.814 1.245 . . . . 0.0 111.773 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.733 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -63.92 -43.02 97.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.423 0.689 . . . . 0.0 111.903 173.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -19.55 63.75 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.508 -0.745 . . . . 0.0 111.796 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -91.15 35.64 0.92 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.46 1.904 . . . . 0.0 112.997 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -54.79 -3.61 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.327 1.851 . . . . 0.0 115.871 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.13 -29.63 67.54 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.285 1.834 . . . . 0.0 113.053 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -152.72 152.28 28.28 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.426 1.491 . . . . 0.0 111.936 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -79.78 150.7 21.39 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.003 2.469 . . . . 0.0 110.894 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.21 170.13 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.756 0.822 . . . . 0.0 111.349 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.84 103.37 11.47 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.363 -0.835 . . . . 0.0 110.747 165.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.9 mm -53.82 -28.3 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.533 -0.73 . . . . 0.0 111.254 168.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -50.58 -41.7 54.82 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.423 0.689 . . . . 0.0 112.424 173.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.42 -43.28 91.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.509 1.049 . . . . 0.0 111.974 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -46.52 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.148 0.579 . . . . 0.0 111.108 174.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -28.57 64.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.797 1.639 . . . . 0.0 112.979 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -74.98 -43.76 52.12 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.849 1.204 . . . . 0.0 112.227 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.55 -33.51 69.2 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.304 0.502 . . . . 0.0 111.901 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -104.42 29.42 6.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.927 0.891 . . . . 0.0 112.257 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.74 -8.29 41.64 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.765 -1.21 . . . . 0.0 112.534 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -65.91 -34.11 77.37 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.37 1.068 . . . . 0.0 113.25 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 pp -89.39 164.73 14.75 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.505 1.122 . . . . 0.0 111.858 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.47 151.56 44.99 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -21.72 62.97 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -36.45 82.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.938 1.244 . . . . 0.0 113.787 170.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.35 -38.0 68.7 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.463 1.029 . . . . 0.0 110.701 168.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -58.75 -35.33 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.383 1.447 . . . . 0.0 112.174 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.3 -51.28 70.22 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 122.484 2.402 . . . . 0.0 112.085 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.17 95.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.389 0.995 . . . . 0.0 111.946 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.65 -52.43 38.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.996 0.918 . . . . 0.0 111.668 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -53.54 -45.32 69.78 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.66 1.584 . . . . 0.0 111.742 168.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -49.59 76.82 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.562 1.528 . . . . 0.0 112.465 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.97 -40.78 87.54 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.826 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HA ' ' HG ' ' A' ' 53' ' ' LEU . 1.3 mp -73.12 -30.87 63.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.597 0.759 . . . . 0.0 112.423 178.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -62.68 -36.28 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.673 1.189 . . . . 0.0 111.989 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -31.85 68.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.404 1.002 . . . . 0.0 112.268 171.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.733 HD22 ' CD2' ' A' ' 19' ' ' TYR . 3.7 mt -74.05 -44.43 54.29 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 110.874 175.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.83 -37.51 79.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.334 0.654 . . . . 0.0 112.247 171.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -42.51 91.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.898 1.279 . . . . 0.0 112.003 173.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.4 t -65.24 -38.34 90.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.537 1.062 . . . . 0.0 111.851 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.06 83.8 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 113.541 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.17 70.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.494 2.318 . . . . 0.0 108.653 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.1 mtt -72.65 99.29 2.53 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.349 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.147 1.779 . . . . 0.0 111.045 179.205 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.58 -57.97 9.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 119.25 -0.405 . . . . 0.0 111.167 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 t -48.53 -40.29 26.36 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.252 1.021 . . . . 0.0 112.859 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.1 -48.29 82.34 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.768 1.167 . . . . 0.0 112.201 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -69.78 -41.0 75.69 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.668 -0.645 . . . . 0.0 112.27 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.68 -41.92 96.09 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.12 1.368 . . . . 0.0 111.453 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.51 87.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.363 1.465 . . . . 0.0 112.067 171.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.78 83.06 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 t -68.18 -19.73 64.81 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.27 -0.894 . . . . 0.0 112.596 171.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.21 28.84 8.32 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.792 1.187 . . . . 0.0 113.888 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -114.71 68.78 2.06 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.035 2.134 . . . . 0.0 112.13 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -65.7 -23.89 55.68 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.657 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -55.87 -36.38 67.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -83.11 -30.96 27.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.553 -0.717 . . . . 0.0 111.699 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.23 93.87 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.302 -0.874 . . . . 0.0 112.001 169.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -63.15 -37.23 86.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.355 1.062 . . . . 0.0 112.226 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.87 -33.02 68.25 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.478 1.111 . . . . 0.0 112.477 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -40.5 83.54 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.153 -0.967 . . . . 0.0 112.703 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.68 -16.98 63.66 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.097 -1.002 . . . . 0.0 111.912 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -85.06 28.07 0.73 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.781 2.033 . . . . 0.0 112.703 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -51.52 -6.3 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.076 2.15 . . . . 0.0 115.724 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.3 -28.81 67.11 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.166 1.787 . . . . 0.0 112.936 172.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -151.91 152.29 29.69 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.911 1.284 . . . . 0.0 112.833 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.8 142.87 12.91 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.262 2.641 . . . . 0.0 110.949 170.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.96 170.12 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.673 1.589 . . . . 0.0 111.61 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -85.58 99.5 11.3 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.563 168.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.92 -29.77 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.14 -0.975 . . . . 0.0 112.194 169.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -50.14 -33.87 20.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.519 1.128 . . . . 0.0 113.525 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 tp -73.95 -38.31 64.28 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.624 0.647 . . . . 0.0 111.862 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -39.25 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.366 -0.834 . . . . 0.0 112.334 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.34 68.09 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 171.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -88.2 -46.29 9.38 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.457 1.026 . . . . 0.0 113.046 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.57 -38.86 82.26 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.054 0.942 . . . . 0.0 111.289 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -119.75 66.06 0.81 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.76 1.624 . . . . 0.0 107.956 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -88.39 -5.6 58.2 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.122 1.369 . . . . 0.0 112.128 168.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -69.01 -36.47 77.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.8 1.24 . . . . 0.0 113.511 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.554 HD21 HG12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -72.63 -179.21 2.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.087 2.155 . . . . 0.0 112.814 179.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -90.44 155.75 18.7 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.928 -1.107 . . . . 0.0 112.733 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.97 -21.15 60.86 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -49.36 78.15 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 112.825 168.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -36.38 75.03 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.984 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.554 HG12 HD21 ' A' ' 38' ' ' LEU . 18.5 mm -56.14 -36.86 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.077 -1.44 . . . . 0.0 112.637 168.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -47.46 74.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.965 2.166 . . . . 0.0 111.598 177.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -36.14 36.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.052 0.941 . . . . 0.0 113.319 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.64 -50.51 70.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.951 1.7 . . . . 0.0 109.745 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -57.87 -40.21 79.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 125.078 1.351 . . . . 0.0 111.834 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -52.7 63.36 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.494 1.952 . . . . 0.0 112.429 176.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.03 -47.77 83.28 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.231 0.612 . . . . 0.0 111.928 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.624 ' HA ' HD22 ' A' ' 53' ' ' LEU . 9.3 mp -67.5 -31.96 72.44 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.904 0.775 . . . . 0.0 112.265 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -62.39 -34.25 76.35 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.143 -1.598 . . . . 0.0 110.78 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -61.62 -37.1 82.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.58 1.082 . . . . 0.0 112.916 170.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -67.58 -44.94 76.96 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.82 0.848 . . . . 0.0 111.336 176.173 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -62.65 -45.91 90.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.241 1.016 . . . . 0.0 112.518 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -41.59 93.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.423 1.489 . . . . 0.0 111.961 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 11.6 t -67.94 -35.14 77.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.682 0.673 . . . . 0.0 111.547 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.75 92.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.45 55.38 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.637 1.575 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.18 73.86 0.48 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.717 1.607 . . . . 0.0 112.695 176.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.256 1.399 0 C-N-CA 126.399 1.88 . . . . 0.0 114.489 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.95 35.28 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.168 -0.957 . . . . 0.0 111.483 167.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -49.6 -40.35 38.63 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.206 1.402 . . . . 0.0 113.054 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.73 -47.5 84.39 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.525 -0.735 . . . . 0.0 112.243 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -67.8 -42.79 81.03 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.509 -1.369 . . . . 0.0 111.925 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.0 -30.23 71.44 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.818 1.247 . . . . 0.0 111.533 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -31.14 29.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 0.0 111.343 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.57 75.58 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.025 1.33 . . . . 0.0 113.678 170.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.7 p -79.45 -12.8 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 24.39 24.11 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 124.346 0.974 . . . . 0.0 114.379 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -117.71 62.5 3.91 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.981 1.312 . . . . 0.0 112.966 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -59.55 -25.92 80.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.097 1.864 . . . . 0.0 112.637 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -47.44 -39.06 14.79 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 166.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -80.87 -36.95 30.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 122.988 0.515 . . . . 0.0 111.658 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.33 74.13 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 120.72 -1.238 . . . . 0.0 111.889 170.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -26.9 67.12 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 117.792 -1.099 . . . . 0.0 113.266 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.54 -28.69 64.05 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.975 1.261 . . . . 0.0 113.161 175.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.755 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -64.29 -37.27 86.89 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 121.01 -1.056 . . . . 0.0 111.238 171.078 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.58 -10.25 54.66 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.909 -1.119 . . . . 0.0 111.379 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -100.57 34.25 2.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.952 1.301 . . . . 0.0 112.066 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -53.09 -5.27 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 127.01 2.124 . . . . 0.0 115.298 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.82 -24.08 66.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.616 2.366 . . . . 0.0 113.261 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.77 151.34 24.81 Favored Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 125.457 1.503 . . . . 0.0 113.457 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -78.95 132.95 10.88 Favored 'Trans proline' 0 C--N 1.363 1.34 0 C-N-CA 121.895 1.73 . . . . 0.0 112.568 168.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.08 157.33 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.059 1.744 . . . . 0.0 112.98 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -76.75 113.51 14.49 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.135 0.88 . . . . 0.0 111.332 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 mm -55.64 -34.0 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 120.978 -1.076 . . . . 0.0 110.361 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -37.63 44.96 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.777 1.231 . . . . 0.0 113.531 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.42 97.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.319 0.647 . . . . 0.0 111.145 176.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.2 67.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.753 0.821 . . . . 0.0 111.985 172.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -27.98 69.54 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.139 1.336 . . . . 0.0 111.034 170.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -46.39 17.67 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.323 1.874 . . . . 0.0 111.813 172.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.12 -35.26 78.2 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.109 -0.995 . . . . 0.0 111.939 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -125.11 78.6 1.72 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.81 -11.13 27.33 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.502 1.121 . . . . 0.0 113.563 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -66.72 -30.7 71.0 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.454 -2.029 . . . . 0.0 114.49 -174.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 179.21 7.55 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 126.57 1.948 . . . . 0.0 113.491 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -85.71 157.14 20.37 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.57 -1.331 . . . . 0.0 112.932 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -22.92 62.44 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 171.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -42.09 99.6 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.984 -1.072 . . . . 0.0 112.964 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.82 -35.88 67.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.532 0.605 . . . . 0.0 111.22 172.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.8 mm -56.78 -37.82 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.484 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -57.45 -42.12 81.87 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 122.274 2.306 . . . . 0.0 112.582 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.77 -39.91 50.06 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.79 -51.2 65.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.224 1.41 . . . . 0.0 110.138 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -57.21 -50.35 73.15 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 125.452 1.501 . . . . 0.0 111.481 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -48.79 73.43 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.373 1.897 . . . . 0.0 112.088 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -52.63 59.14 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.41 -28.15 68.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 120.166 1.348 . . . . 0.0 111.917 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -73.55 -30.62 63.17 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 119.202 -2.186 . . . . 0.0 113.11 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -59.4 -32.34 70.08 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.323 0.965 . . . . 0.0 113.083 165.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.755 HD22 ' CD2' ' A' ' 19' ' ' TYR . 4.5 mt -69.69 -42.2 74.41 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.653 0.781 . . . . 0.0 111.567 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.7 -40.73 79.88 Favored 'General case' 0 CA--C 1.565 1.536 0 O-C-N 121.529 -0.732 . . . . 0.0 112.514 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -42.63 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.842 1.257 . . . . 0.0 111.202 166.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.5 t -65.09 -37.52 87.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 119.452 1.024 . . . . 0.0 113.016 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.59 70.82 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.769 1.228 . . . . 0.0 113.155 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.37 52.42 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.731 1.213 . . . . 0.0 112.186 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.55 110.22 0.94 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.602 -1.311 . . . . 0.0 111.143 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.283 2.828 0 C-N-CA 126.681 1.993 . . . . 0.0 112.494 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -56.93 -32.43 65.97 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 120.382 1.447 . . . . 0.0 112.681 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.57 -61.45 2.49 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.873 0.869 . . . . 0.0 112.097 167.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.1 m -53.94 -42.11 68.5 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.558 1.072 . . . . 0.0 113.649 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.84 -44.64 76.71 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.308 0.643 . . . . 0.0 112.279 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -66.64 -40.19 88.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.413 0.685 . . . . 0.0 111.507 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.55 -42.05 91.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.129 1.372 . . . . 0.0 111.837 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -44.62 82.87 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.059 -1.026 . . . . 0.0 112.214 169.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.54 -39.04 77.69 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -70.02 -24.77 63.33 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 119.642 1.11 . . . . 0.0 112.8 171.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.55 29.74 4.61 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.464 1.031 . . . . 0.0 113.86 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -115.08 62.65 1.51 Allowed Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 128.353 2.661 . . . . 0.0 111.324 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -62.67 -27.01 75.69 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.26 1.973 . . . . 0.0 112.354 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -52.97 -43.23 66.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.43 1.492 . . . . 0.0 113.121 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -79.45 -29.03 41.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.124 -0.985 . . . . 0.0 112.12 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.16 88.58 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.463 -0.773 . . . . 0.0 111.388 169.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.99 -35.14 77.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 112.127 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 26' ' ' ILE . 6.4 tt -57.01 -29.89 63.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.239 1.016 . . . . 0.0 112.88 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.91 -38.21 78.39 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.219 0.918 . . . . 0.0 112.706 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -68.29 -16.08 63.82 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.345 -0.847 . . . . 0.0 112.132 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -92.75 34.45 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.721 2.008 . . . . 0.0 111.019 174.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -59.0 4.6 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.225 1.81 . . . . 0.0 115.207 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.536 ' H ' HD22 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -67.29 -22.15 65.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.363 -1.461 . . . . 0.0 113.094 175.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -149.23 147.45 23.61 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.344 1.458 . . . . 0.0 112.201 171.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -79.4 152.04 23.22 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.187 2.592 . . . . 0.0 110.609 169.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.489 HG21 HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -100.47 161.26 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 121.643 0.735 . . . . 0.0 112.738 -174.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -70.93 87.83 0.74 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.717 0.807 . . . . 0.0 110.551 168.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.6 mm -48.07 -42.5 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.798 1.239 . . . . 0.0 111.159 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 t -61.49 -35.09 76.7 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.43 -44.68 74.45 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.197 -0.939 . . . . 0.0 110.461 172.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 t -54.95 -41.48 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.242 0.617 . . . . 0.0 111.581 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -58.9 -24.65 62.58 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.867 1.667 . . . . 0.0 114.575 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -36.22 41.79 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.542 1.519 . . . . 0.0 112.866 168.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.44 -26.0 67.0 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.699 ' CE1' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -129.75 31.5 4.73 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.876 1.27 . . . . 0.0 112.893 177.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.05 -11.62 2.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -60.84 -28.63 68.96 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.914 1.686 . . . . 0.0 114.47 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.92 160.76 14.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.373 1.069 . . . . 0.0 113.54 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.23 155.95 39.02 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.827 0.851 . . . . 0.0 112.62 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -58.07 -14.85 7.47 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -47.05 88.25 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.808 1.185 . . . . 0.0 113.248 167.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.05 -25.83 39.97 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.06 -46.77 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.517 163.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.81 -44.36 90.81 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 121.059 1.754 . . . . 0.0 112.531 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.23 66.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.689 0.677 . . . . 0.0 111.799 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.699 HD22 ' CE1' ' A' ' 35' ' ' HIS . 2.9 tp -60.87 -47.34 86.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.539 0.736 . . . . 0.0 112.121 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.6 m -57.0 -45.51 82.98 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 125.032 1.333 . . . . 0.0 111.469 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -46.31 84.93 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 121.09 1.768 . . . . 0.0 111.81 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -69.02 -47.53 65.21 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 53' ' ' LEU . 87.8 mt -68.22 -30.41 69.47 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 112.725 176.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.31 -29.36 64.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.116 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.2 m -60.92 -42.26 97.74 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 121.587 1.994 . . . . 0.0 111.297 166.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -64.54 -46.82 81.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.755 0.822 . . . . 0.0 111.857 175.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.77 -42.45 99.7 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.564 0.746 . . . . 0.0 112.62 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -40.26 75.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.954 1.701 . . . . 0.0 111.358 175.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.1 t -71.57 -37.21 71.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.435 0.694 . . . . 0.0 111.612 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.58 84.34 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.598 1.159 . . . . 0.0 113.793 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.3 m -132.52 52.99 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.73 1.612 . . . . 0.0 112.068 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.33 62.78 0.06 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.885 2.074 . . . . 0.0 114.85 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mttt . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.062 1.745 . . . . 0.0 113.141 171.607 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 mttm . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -33.55 74.79 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 119.551 -1.968 . . . . 0.0 112.91 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.42 -57.99 10.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.956 0.903 . . . . 0.0 111.742 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -54.23 -39.9 67.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 112.474 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.49 -49.22 77.65 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.696 1.134 . . . . 0.0 111.976 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -64.7 -45.66 85.66 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.945 -0.472 . . . . 0.0 111.959 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.97 -39.99 91.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.955 1.302 . . . . 0.0 112.379 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -40.08 92.47 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.574 -1.328 . . . . 0.0 111.48 173.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.05 76.15 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 p -72.31 -14.04 61.65 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.261 1.024 . . . . 0.0 113.353 173.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.55 26.96 12.27 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.783 1.183 . . . . 0.0 113.95 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -112.57 67.67 0.95 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.279 2.232 . . . . 0.0 111.671 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.45 -29.5 71.45 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.812 2.341 . . . . 0.0 112.015 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -51.85 -45.86 64.18 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.329 1.452 . . . . 0.0 113.544 170.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -79.36 -38.88 33.97 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.515 -0.741 . . . . 0.0 111.099 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.7 76.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.791 0.836 . . . . 0.0 112.141 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -72.78 -36.1 67.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.955 1.302 . . . . 0.0 112.895 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -37.8 62.4 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.199 0.909 . . . . 0.0 111.68 172.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -38.82 64.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 174.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -19.88 64.91 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.981 178.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.8 34.93 1.05 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.3 2.24 . . . . 0.0 111.854 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -56.27 0.06 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.094 1.758 . . . . 0.0 115.102 172.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.95 -24.85 59.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.299 1.839 . . . . 0.0 112.801 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -144.8 146.12 30.42 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 111.649 171.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -78.96 152.72 24.93 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.136 2.558 . . . . 0.0 111.869 168.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.71 165.7 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.746 1.218 . . . . 0.0 111.786 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.94 101.19 13.51 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.666 -0.646 . . . . 0.0 110.604 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mm -54.56 -39.54 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.98 0.912 . . . . 0.0 110.524 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 t -56.53 -34.0 66.61 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.284 1.034 . . . . 0.0 113.395 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.47 -41.05 63.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.795 0.838 . . . . 0.0 111.339 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.82 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 112.326 172.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -25.19 64.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 113.319 171.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -86.75 -44.63 11.63 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.556 1.071 . . . . 0.0 111.98 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -61.35 -37.3 82.83 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.477 0.711 . . . . 0.0 112.117 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.678 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.2 m80 -114.83 46.73 1.36 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.674 1.59 . . . . 0.0 109.92 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -71.62 -10.69 60.15 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -71.67 -23.09 61.6 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.634 1.574 . . . . 0.0 114.736 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.744 HD21 HG12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -80.1 -173.22 3.84 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.34 1.856 . . . . 0.0 112.759 -178.344 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.23 159.4 15.58 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.175 -0.953 . . . . 0.0 112.724 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -56.27 -23.6 37.46 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.54 -46.51 88.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.831 0.852 . . . . 0.0 112.843 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.53 -41.77 72.12 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 117.342 -1.314 . . . . 0.0 110.506 172.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.744 HG12 HD21 ' A' ' 38' ' ' LEU . 30.7 mm -56.88 -32.64 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.541 1.519 . . . . 0.0 113.345 173.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.02 -49.56 75.53 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 122.003 2.183 . . . . 0.0 111.682 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.73 80.22 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.462 -0.774 . . . . 0.0 112.57 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tp -64.73 -50.72 65.77 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 125.71 1.604 . . . . 0.0 111.156 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.04 -45.76 86.45 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.247 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.82 -49.39 77.91 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.084 1.766 . . . . 0.0 112.205 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 mmt-85 -66.87 -50.25 63.07 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.756 0.822 . . . . 0.0 111.832 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.81 -31.06 71.44 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.977 -1.077 . . . . 0.0 113.126 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.28 -39.57 92.77 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 120.577 -1.327 . . . . 0.0 110.987 167.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -57.46 -36.87 71.99 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.766 1.166 . . . . 0.0 111.978 170.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -44.09 86.15 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.837 0.744 . . . . 0.0 111.668 173.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.11 -44.16 96.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.214 0.605 . . . . 0.0 112.241 173.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -41.86 96.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.212 1.405 . . . . 0.0 111.572 175.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.15 -34.93 75.75 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.016 0.825 . . . . 0.0 111.826 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.29 93.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.531 1.132 . . . . 0.0 113.681 172.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.26 54.78 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.151 1.38 . . . . 0.0 112.068 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -71.94 61.64 0.42 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.707 2.003 . . . . 0.0 113.89 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.634 1.573 . . . . 0.0 113.626 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 tttp . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 117.135 -1.412 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -54.95 -38.04 67.22 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 121.399 1.909 . . . . 0.0 113.534 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -57.01 14.69 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.969 -0.457 . . . . 0.0 111.312 172.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.53 -40.89 62.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.081 0.952 . . . . 0.0 112.674 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -62.53 -49.36 75.64 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.681 1.128 . . . . 0.0 112.083 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -67.02 -43.01 83.95 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.804 -0.56 . . . . 0.0 111.836 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.29 -39.31 92.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.695 1.198 . . . . 0.0 112.342 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.76 98.08 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.513 -1.367 . . . . 0.0 111.131 171.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.58 -37.81 80.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -72.57 -13.02 61.3 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.534 1.133 . . . . 0.0 113.079 173.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.02 26.43 16.45 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.076 1.322 . . . . 0.0 114.143 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -114.18 63.5 1.24 Allowed Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 127.328 2.251 . . . . 0.0 112.852 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -64.81 -25.36 60.65 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.916 2.411 . . . . 0.0 112.729 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -57.48 -31.23 65.77 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -85.1 -31.28 23.43 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.221 -0.925 . . . . 0.0 111.462 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.17 93.17 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.147 -0.97 . . . . 0.0 111.438 166.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.2 -35.96 82.04 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.835 0.854 . . . . 0.0 112.748 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.54 HD13 ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -57.34 -35.25 69.66 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.645 1.111 . . . . 0.0 112.164 176.733 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.418 ' CG ' ' HG ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -61.61 -40.03 93.37 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.391 0.615 . . . . 0.0 112.438 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.28 -15.32 59.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.008 0.923 . . . . 0.0 112.319 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.72 35.81 1.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.787 2.035 . . . . 0.0 111.837 175.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -52.36 -3.4 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.248 2.219 . . . . 0.0 115.596 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.61 -28.39 67.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.704 2.001 . . . . 0.0 112.727 173.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.11 151.49 34.4 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.041 1.337 . . . . 0.0 112.274 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -77.83 141.03 18.89 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.234 2.623 . . . . 0.0 111.005 170.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.54 ' CG2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -81.14 169.51 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-O 121.669 0.747 . . . . 0.0 111.917 -179.397 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -87.36 98.76 11.53 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.614 -0.679 . . . . 0.0 110.174 170.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.0 mm -53.97 -36.04 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.483 -0.761 . . . . 0.0 110.545 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -52.74 -46.08 67.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.677 0.791 . . . . 0.0 112.126 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.91 -40.85 83.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.468 0.707 . . . . 0.0 111.357 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -47.48 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.057 0.844 . . . . 0.0 111.194 174.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -35.93 81.12 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.276 1.83 . . . . 0.0 112.54 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -71.99 -43.83 64.49 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.393 0.997 . . . . 0.0 112.808 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.89 -32.73 71.22 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.597 0.759 . . . . 0.0 111.934 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -109.33 33.55 4.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 111.517 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -6.76 10.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.882 -1.136 . . . . 0.0 113.144 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -62.65 -17.04 59.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.864 1.266 . . . . 0.0 113.943 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -115.06 159.45 20.82 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.978 1.711 . . . . 0.0 111.751 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.6 161.6 30.14 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.598 0.759 . . . . 0.0 112.627 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 mpp_? -61.13 -27.2 68.22 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 118.062 -0.971 . . . . 0.0 113.563 176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -33.23 74.97 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.319 1.418 . . . . 0.0 113.895 171.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.69 -47.58 53.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.15 0.886 . . . . 0.0 110.527 168.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.8 mm -56.36 -32.25 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-O 117.771 -1.109 . . . . 0.0 112.779 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -62.78 -50.34 71.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 121.847 2.112 . . . . 0.0 111.793 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.49 93.68 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.618 0.645 . . . . 0.0 112.028 173.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.8 -56.15 17.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.699 1.2 . . . . 0.0 111.119 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.72 -42.57 65.0 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 126.123 1.769 . . . . 0.0 111.678 170.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.58 80.4 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.192 1.36 . . . . 0.0 112.392 176.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -66.56 -45.32 79.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.731 0.696 . . . . 0.0 112.102 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.5 mt -70.34 -26.22 63.65 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -66.59 -35.19 79.6 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.861 -1.15 . . . . 0.0 111.568 167.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -61.98 -39.1 91.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.956 1.253 . . . . 0.0 111.574 169.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HG ' ' CG ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -65.83 -46.0 80.19 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.934 0.894 . . . . 0.0 111.716 174.591 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.9 -41.81 98.34 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.627 0.771 . . . . 0.0 111.804 173.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -41.81 86.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.91 1.284 . . . . 0.0 111.609 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.79 -39.6 91.12 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.658 0.663 . . . . 0.0 112.177 173.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.15 84.85 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.68 51.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.285 1.434 . . . . 0.0 112.214 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.5 mtt -55.87 111.02 0.82 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.134 0.974 . . . . 0.0 111.968 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.729 2.012 . . . . 0.0 112.209 176.342 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 pttm . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -59.03 -34.57 72.06 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.396 -1.44 . . . . 0.0 113.018 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.67 -59.09 5.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.689 0.796 . . . . 0.0 111.623 169.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -53.6 -40.66 65.87 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -66.24 -48.47 70.43 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.02 0.827 . . . . 0.0 112.351 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -63.09 -43.24 99.05 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.09 0.556 . . . . 0.0 111.399 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.25 -35.14 76.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.929 1.292 . . . . 0.0 112.495 172.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.536 -1.353 . . . . 0.0 111.45 169.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.81 71.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.849 1.26 . . . . 0.0 114.296 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.7 p -70.15 -14.03 62.46 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.684 1.194 . . . . 0.0 113.141 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.97 26.54 18.94 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.998 1.285 . . . . 0.0 113.763 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -114.07 62.1 1.09 Allowed Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 127.535 2.334 . . . . 0.0 112.555 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -64.19 -26.16 64.9 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 122.586 2.191 . . . . 0.0 112.535 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -57.83 -36.63 72.53 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -80.26 -34.57 36.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.204 -0.935 . . . . 0.0 110.485 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.21 96.62 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.722 -0.611 . . . . 0.0 111.715 169.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.03 -34.23 77.53 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.25 -0.906 . . . . 0.0 112.962 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -55.66 -37.34 68.14 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.19 0.904 . . . . 0.0 112.326 175.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -39.07 71.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.575 0.625 . . . . 0.0 112.556 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -18.17 64.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.669 0.788 . . . . 0.0 112.217 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -93.14 37.45 1.03 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.676 1.99 . . . . 0.0 111.721 173.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -56.78 1.99 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.631 1.972 . . . . 0.0 114.803 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.47 -24.26 67.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.151 1.78 . . . . 0.0 112.19 173.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.42 149.53 29.17 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.032 1.333 . . . . 0.0 112.062 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.29 143.81 20.09 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.456 2.77 . . . . 0.0 111.202 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.451 ' CG2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -88.23 167.07 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 O-C-N 121.428 -0.795 . . . . 0.0 111.642 -178.095 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -82.16 99.88 9.5 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.552 -0.717 . . . . 0.0 110.28 168.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.19 -32.48 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 121.267 -0.896 . . . . 0.0 110.657 168.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 t -54.8 -43.59 73.02 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.64 -41.99 87.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.246 1.018 . . . . 0.0 112.279 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -52.17 60.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.073 0.549 . . . . 0.0 110.617 175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -38.6 71.53 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.002 1.721 . . . . 0.0 112.044 173.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -38.46 91.07 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.069 1.347 . . . . 0.0 113.668 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.58 -29.76 69.2 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.613 0.765 . . . . 0.0 112.551 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -125.21 49.76 1.85 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.183 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.35 31.89 0.18 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.242 1.417 . . . . 0.0 111.95 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -123.01 -14.73 7.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.507 1.923 . . . . 0.0 113.227 -173.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.28 165.9 11.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.811 1.644 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 p30 -69.04 160.61 30.67 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 122.513 1.149 . . . . 0.0 113.654 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -17.73 60.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.714 171.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.72 71.44 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.919 1.236 . . . . 0.0 112.31 172.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.12 90.81 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.547 -0.721 . . . . 0.0 111.203 171.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.6 mm -60.44 -38.29 77.42 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-O 117.557 -1.211 . . . . 0.0 111.412 170.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.64 -43.63 98.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 122.604 2.456 . . . . 0.0 111.718 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.41 85.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.967 0.803 . . . . 0.0 112.033 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 tp -70.53 -51.16 30.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.4 t -52.05 -43.3 63.73 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 126.116 1.766 . . . . 0.0 112.269 166.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -61.3 -55.0 36.79 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.508 1.958 . . . . 0.0 112.416 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -62.03 -43.67 98.35 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.625 0.648 . . . . 0.0 111.396 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' HA ' HD22 ' A' ' 53' ' ' LEU . 70.1 mt -70.36 -31.09 68.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.347 1.059 . . . . 0.0 113.42 175.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -67.84 -33.51 74.91 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 120.467 -1.395 . . . . 0.0 112.092 167.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -60.53 -37.81 82.38 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.356 1.434 . . . . 0.0 111.474 170.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -67.55 -45.7 74.89 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.933 0.893 . . . . 0.0 111.703 173.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.87 -44.1 97.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.464 0.706 . . . . 0.0 112.226 172.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -42.47 91.56 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.696 1.599 . . . . 0.0 111.209 176.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.1 -34.62 76.74 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.053 0.842 . . . . 0.0 112.001 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.02 91.91 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.72 1.208 . . . . 0.0 113.91 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.03 57.93 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 126.125 1.77 . . . . 0.0 111.14 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -73.49 44.95 0.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 127.174 2.19 . . . . 0.0 114.637 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--O 1.256 1.403 0 C-N-CA 128.849 2.86 . . . . 0.0 113.37 -175.113 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 tttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 117.153 -1.403 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.66 -36.49 67.12 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 121.58 1.991 . . . . 0.0 113.759 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.84 -55.11 36.89 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.984 -0.447 . . . . 0.0 111.471 171.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.68 -40.87 63.33 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.786 0.834 . . . . 0.0 112.571 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.83 -49.01 79.19 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.844 1.202 . . . . 0.0 112.368 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -68.72 -43.48 75.87 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.739 -0.6 . . . . 0.0 112.151 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.86 -38.79 86.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.706 1.202 . . . . 0.0 112.239 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.79 91.1 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.499 -1.376 . . . . 0.0 111.344 171.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.13 -37.96 81.67 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.1 p -71.82 -12.35 61.24 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.639 1.175 . . . . 0.0 113.123 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.36 26.96 19.45 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.986 1.279 . . . . 0.0 114.08 177.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -114.64 66.99 1.81 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 127.191 2.196 . . . . 0.0 112.632 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.19 -28.12 56.25 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.995 2.464 . . . . 0.0 112.876 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -56.52 -33.08 65.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -85.25 -27.48 26.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.355 -0.841 . . . . 0.0 111.89 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.1 95.35 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.086 -1.009 . . . . 0.0 111.811 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -63.53 -33.94 76.7 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.908 0.883 . . . . 0.0 112.797 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.01 -38.04 72.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.486 0.715 . . . . 0.0 111.635 173.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.717 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -57.32 -48.71 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.949 0.795 . . . . 0.0 111.53 173.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.88 -16.55 43.08 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.429 1.091 . . . . 0.0 112.902 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.43 46.19 1.27 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.439 1.895 . . . . 0.0 112.079 170.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.12 -8.3 0.66 Allowed 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.386 -1.446 . . . . 0.0 114.422 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.15 -38.63 71.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.974 2.51 . . . . 0.0 113.082 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -152.62 148.44 20.71 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.989 1.316 . . . . 0.0 112.127 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.12 153.6 28.53 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.278 2.652 . . . . 0.0 110.762 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.03 167.83 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.888 0.852 . . . . 0.0 112.168 -176.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -75.3 97.46 3.58 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.639 -0.663 . . . . 0.0 110.482 165.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.3 -31.17 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 121.373 -0.83 . . . . 0.0 110.661 167.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -51.47 -45.48 62.76 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.652 -0.655 . . . . 0.0 112.311 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.88 -42.87 94.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.813 0.733 . . . . 0.0 111.844 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -60.87 -42.73 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.121 0.873 . . . . 0.0 111.656 177.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -32.53 71.95 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -76.27 -39.48 54.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.29 1.036 . . . . 0.0 112.72 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.71 -35.46 65.12 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.755 0.822 . . . . 0.0 111.645 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -101.58 33.24 3.03 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.572 1.149 . . . . 0.0 111.937 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -11.77 36.69 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 120.485 -1.384 . . . . 0.0 113.626 173.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -62.82 -15.26 53.36 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.548 1.539 . . . . 0.0 114.594 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 pp -116.72 159.36 22.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.935 1.694 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -67.19 158.37 31.47 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.535 0.683 . . . . 0.0 112.681 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -19.25 58.88 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 171.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.46 99.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.341 1.056 . . . . 0.0 112.899 169.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.18 61.58 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.337 172.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.78 -34.15 36.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.87 0 CA-C-O 117.479 -1.248 . . . . 0.0 112.11 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.01 -48.81 80.16 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.566 2.439 . . . . 0.0 112.519 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.09 -37.73 78.6 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.779 0.718 . . . . 0.0 112.395 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -55.38 13.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.931 1.293 . . . . 0.0 111.423 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t -51.9 -42.37 62.68 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 126.494 1.917 . . . . 0.0 111.675 167.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -59.45 -52.19 66.66 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.88 1.673 . . . . 0.0 112.28 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -61.47 -49.61 76.12 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.843 0.747 . . . . 0.0 111.227 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' HA ' ' HG ' ' A' ' 53' ' ' LEU . 79.2 mt -61.99 -33.8 75.0 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.26 -36.17 82.3 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.156 1.383 . . . . 0.0 112.646 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -58.04 -36.95 73.47 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.534 1.515 . . . . 0.0 111.021 169.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.717 HD22 ' CD2' ' A' ' 19' ' ' TYR . 2.8 mt -71.06 -46.03 62.71 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.316 0.647 . . . . 0.0 110.865 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -58.5 -47.17 85.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.82 0.848 . . . . 0.0 111.181 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -43.95 88.95 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.797 1.639 . . . . 0.0 111.799 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.9 t -66.79 -38.91 87.45 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.814 0.733 . . . . 0.0 112.202 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.03 89.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.821 1.249 . . . . 0.0 113.714 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.37 55.8 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.791 1.636 . . . . 0.0 111.913 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -60.86 116.0 4.12 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.565 -0.709 . . . . 0.0 111.094 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.025 1.33 . . . . 0.0 111.371 173.558 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.87 -35.88 66.98 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.812 1.187 . . . . 0.0 113.884 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.77 28.01 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.035 -0.415 . . . . 0.0 111.801 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 38.9 t -52.25 -42.42 63.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.266 1.026 . . . . 0.0 112.638 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -60.16 -50.38 73.91 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.764 1.165 . . . . 0.0 112.602 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -69.48 -41.86 75.59 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.883 -0.511 . . . . 0.0 112.099 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.82 -39.07 90.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.396 1.078 . . . . 0.0 112.375 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -44.66 89.49 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.785 -1.197 . . . . 0.0 110.872 171.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.54 91.37 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.7 p -72.54 -12.52 61.1 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.585 1.154 . . . . 0.0 113.076 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.1 26.05 20.07 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.826 1.203 . . . . 0.0 114.033 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.2 64.95 0.73 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.781 2.433 . . . . 0.0 111.469 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -62.02 -27.88 79.87 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.384 2.056 . . . . 0.0 111.857 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.63 -47.32 58.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.603 1.561 . . . . 0.0 113.438 169.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -77.49 -38.04 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.622 1.101 . . . . 0.0 111.751 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.66 83.93 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.238 0.615 . . . . 0.0 112.017 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -69.25 -41.75 76.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.822 1.249 . . . . 0.0 112.373 171.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.39 -29.97 62.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.176 0.99 . . . . 0.0 111.43 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -55.83 -41.81 74.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.947 -1.096 . . . . 0.0 113.76 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.0 -25.18 68.27 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.224 -0.923 . . . . 0.0 111.782 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.65 37.1 0.63 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.398 2.279 . . . . 0.0 112.306 173.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -57.28 -6.95 0.47 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.592 1.557 . . . . 0.0 114.284 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' H ' HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -62.42 -13.07 25.68 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 120.347 -1.47 . . . . 0.0 112.724 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -140.93 150.76 60.54 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 126.05 1.74 . . . . 0.0 111.75 168.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.96 139.05 19.04 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.988 2.459 . . . . 0.0 110.512 165.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.467 HD11 HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -71.57 169.51 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 C-N-CA 125.538 1.535 . . . . 0.0 110.269 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -102.11 94.29 5.68 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.456 -1.402 . . . . 0.0 111.243 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.467 HD13 HD11 ' A' ' 26' ' ' ILE . 14.3 mm -53.7 -40.49 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.696 0.799 . . . . 0.0 111.069 174.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m -58.76 -41.01 85.59 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.34 -0.85 . . . . 0.0 112.872 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.9 tp -72.88 -38.48 66.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.246 0.619 . . . . 0.0 111.441 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -41.39 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.403 1.081 . . . . 0.0 112.22 172.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HD3' HG22 ' A' ' 28' ' ' ILE . 14.0 mtpt -63.7 -22.32 66.84 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.644 1.578 . . . . 0.0 114.722 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -94.24 -44.02 8.16 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.52 1.128 . . . . 0.0 112.334 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.87 -34.66 76.4 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.586 1.154 . . . . 0.0 111.947 175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -118.8 33.79 5.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.568 1.547 . . . . 0.0 111.315 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -66.58 -4.87 9.57 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.576 -1.327 . . . . 0.0 113.678 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -64.76 -15.73 61.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.586 1.554 . . . . 0.0 114.052 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -116.18 160.03 20.96 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.201 1.801 . . . . 0.0 111.724 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.89 156.61 30.42 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.528 1.131 . . . . 0.0 112.405 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -60.68 -24.66 65.78 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 170.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.45 -43.63 93.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.405 1.082 . . . . 0.0 113.035 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.85 -46.6 68.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.897 -0.573 . . . . 0.0 110.32 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.25 -35.4 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 117.005 -1.474 . . . . 0.0 112.929 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.75 -51.39 69.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 122.38 2.354 . . . . 0.0 111.471 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.92 89.06 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.51 -0.744 . . . . 0.0 112.344 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -48.23 79.21 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.999 0.919 . . . . 0.0 111.821 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.3 t -54.74 -42.9 72.16 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 127.111 2.164 . . . . 0.0 110.992 170.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -46.98 86.22 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.208 0.913 . . . . 0.0 112.543 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -45.57 83.96 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.45 -29.31 68.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -69.94 -32.72 71.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.468 -1.395 . . . . 0.0 112.757 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 m -60.38 -38.35 83.67 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.963 1.256 . . . . 0.0 111.245 168.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -41.43 85.62 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.632 0.773 . . . . 0.0 111.511 173.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.81 -46.67 89.62 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.103 0.865 . . . . 0.0 112.159 170.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -55.32 -45.52 76.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.391 1.076 . . . . 0.0 110.825 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.5 t -67.48 -35.89 80.04 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 118.694 0.679 . . . . 0.0 112.775 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.48 87.51 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.7 m -132.63 58.71 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.909 1.684 . . . . 0.0 111.044 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.3 mtp -63.29 82.19 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.495 1.518 . . . . 0.0 112.32 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 pttp . . . . . 0 C--O 1.251 1.177 0 C-N-CA 124.771 1.228 . . . . 0.0 113.523 173.718 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.1 mttt . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -39.13 71.9 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 121.711 2.05 . . . . 0.0 113.05 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.37 3.56 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.216 171.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 m -51.09 -37.7 47.35 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.4 -49.14 72.71 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.208 0.913 . . . . 0.0 111.734 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -65.99 -43.21 88.42 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.927 -0.483 . . . . 0.0 111.673 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.13 -37.06 76.33 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.82 1.248 . . . . 0.0 112.39 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -74.31 -37.03 63.72 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.692 -1.255 . . . . 0.0 111.945 174.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.28 83.79 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.725 1.21 . . . . 0.0 114.171 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 p -70.83 -12.06 61.32 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.734 1.214 . . . . 0.0 113.063 172.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.12 25.63 23.79 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.061 1.315 . . . . 0.0 113.945 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -114.77 66.41 1.79 Allowed Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 126.813 2.045 . . . . 0.0 112.764 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -64.24 -25.89 64.6 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.888 2.392 . . . . 0.0 112.758 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -57.11 -35.81 69.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -83.31 -34.58 25.68 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.334 -0.854 . . . . 0.0 111.248 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.1 87.62 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 122.776 0.43 . . . . 0.0 111.731 168.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -64.47 -34.36 78.02 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.141 -0.974 . . . . 0.0 112.972 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -55.27 -37.75 67.68 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.581 1.082 . . . . 0.0 112.136 173.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -40.88 80.02 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.727 0.694 . . . . 0.0 112.719 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.29 -18.34 65.23 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.399 -0.813 . . . . 0.0 111.811 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.74 37.12 1.01 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.81 2.044 . . . . 0.0 112.212 173.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -55.74 -0.96 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.094 1.758 . . . . 0.0 114.971 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -63.52 -26.86 68.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.796 1.638 . . . . 0.0 112.33 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -149.6 150.53 31.12 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.39 1.476 . . . . 0.0 112.102 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -78.39 145.04 20.87 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.089 2.526 . . . . 0.0 111.434 170.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.408 HD11 HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.03 165.92 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.842 0.857 . . . . 0.0 112.274 -176.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.77 96.65 8.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.828 0.851 . . . . 0.0 110.587 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 26' ' ' ILE . 15.7 mm -56.69 -31.82 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.235 -0.915 . . . . 0.0 111.266 174.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -52.37 -34.55 48.17 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.066 1.346 . . . . 0.0 113.901 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -43.95 66.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.534 0.606 . . . . 0.0 111.077 172.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -37.9 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.823 0.738 . . . . 0.0 112.377 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -39.97 89.08 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.942 0.897 . . . . 0.0 113.032 172.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -74.38 -43.8 54.87 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.752 0.821 . . . . 0.0 112.936 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.68 -29.21 69.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.309 1.044 . . . . 0.0 112.437 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -123.94 42.82 3.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 111.701 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -61.76 -11.99 14.83 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.865 -1.147 . . . . 0.0 113.603 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -17.63 64.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.247 1.819 . . . . 0.0 114.315 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 pp -119.84 143.26 47.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.25 169.84 8.1 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.891 1.277 . . . . 0.0 113.168 -172.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -29.82 58.26 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.398 -1.287 . . . . 0.0 112.991 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.3 -40.01 92.59 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.479 1.945 . . . . 0.0 114.226 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.94 -49.49 24.39 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.545 -0.722 . . . . 0.0 110.519 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.3 mm -54.7 -33.2 27.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.712 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.34 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.02 -52.92 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 121.346 1.885 . . . . 0.0 110.902 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.51 95.62 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.196 0.907 . . . . 0.0 111.919 174.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.19 -58.44 7.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.403 1.481 . . . . 0.0 111.231 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.47 -37.55 62.78 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 126.966 2.106 . . . . 0.0 112.642 170.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -51.29 55.84 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.577 1.535 . . . . 0.0 111.551 177.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.26 -44.2 97.64 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.558 0.617 . . . . 0.0 111.678 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.698 ' HA ' HD22 ' A' ' 53' ' ' LEU . 8.9 mp -70.09 -29.59 66.61 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -69.2 -32.24 71.38 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 120.422 -1.424 . . . . 0.0 111.997 168.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -59.63 -34.53 72.9 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.96 1.255 . . . . 0.0 111.806 169.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.52 -43.85 65.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.849 0.86 . . . . 0.0 111.414 174.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -60.6 -43.24 97.66 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.226 0.61 . . . . 0.0 111.982 171.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -46.29 85.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.928 1.291 . . . . 0.0 111.116 173.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.85 -35.6 81.15 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.776 0.717 . . . . 0.0 112.004 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.48 83.9 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.62 49.79 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.751 1.22 . . . . 0.0 112.654 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.5 mtm -59.88 99.0 0.06 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.318 1.047 . . . . 0.0 112.17 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.709 1.604 . . . . 0.0 112.802 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.68 -35.68 66.3 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 121.76 2.073 . . . . 0.0 114.162 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.52 12.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.13 169.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.0 t -51.66 -43.84 62.81 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.148 0.979 . . . . 0.0 112.953 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.76 -47.17 84.69 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.914 0.779 . . . . 0.0 112.533 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.1 t90 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.614 -0.679 . . . . 0.0 112.339 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.42 -39.04 82.23 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.564 1.145 . . . . 0.0 111.758 174.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -41.66 90.96 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.3 -0.875 . . . . 0.0 112.149 170.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -41.33 70.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -68.9 -22.6 64.17 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 119.023 0.829 . . . . 0.0 112.693 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.08 28.63 7.19 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.71 1.148 . . . . 0.0 113.935 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -114.34 62.21 1.19 Allowed Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.799 2.04 . . . . 0.0 112.365 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -64.84 -23.9 61.88 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.938 2.425 . . . . 0.0 112.651 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -32.48 59.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 170.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -88.88 -26.46 21.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.85 0.86 . . . . 0.0 111.737 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.68 85.28 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.971 -1.081 . . . . 0.0 111.46 167.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -29.47 70.79 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.84 0.856 . . . . 0.0 113.005 173.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.85 -35.01 75.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.814 1.245 . . . . 0.0 111.773 174.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.733 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -63.92 -43.02 97.18 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.423 0.689 . . . . 0.0 111.903 173.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -19.55 63.75 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.508 -0.745 . . . . 0.0 111.796 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -91.15 35.64 0.92 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.46 1.904 . . . . 0.0 112.997 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -54.79 -3.61 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.327 1.851 . . . . 0.0 115.871 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.13 -29.63 67.54 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.285 1.834 . . . . 0.0 113.053 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -152.72 152.28 28.28 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.426 1.491 . . . . 0.0 111.936 175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -79.78 150.7 21.39 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.003 2.469 . . . . 0.0 110.894 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.21 170.13 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.756 0.822 . . . . 0.0 111.349 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.84 103.37 11.47 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.363 -0.835 . . . . 0.0 110.747 165.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.9 mm -53.82 -28.3 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.533 -0.73 . . . . 0.0 111.254 168.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -50.58 -41.7 54.82 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.423 0.689 . . . . 0.0 112.424 173.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.42 -43.28 91.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.509 1.049 . . . . 0.0 111.974 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -46.52 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.148 0.579 . . . . 0.0 111.108 174.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -28.57 64.64 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.797 1.639 . . . . 0.0 112.979 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -74.98 -43.76 52.12 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.849 1.204 . . . . 0.0 112.227 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.55 -33.51 69.2 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.304 0.502 . . . . 0.0 111.901 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -104.42 29.42 6.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.927 0.891 . . . . 0.0 112.257 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.74 -8.29 41.64 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.765 -1.21 . . . . 0.0 112.534 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -65.91 -34.11 77.37 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.37 1.068 . . . . 0.0 113.25 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 pp -89.39 164.73 14.75 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.505 1.122 . . . . 0.0 111.858 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.47 151.56 44.99 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -21.72 62.97 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -36.45 82.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.938 1.244 . . . . 0.0 113.787 170.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.35 -38.0 68.7 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.463 1.029 . . . . 0.0 110.701 168.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -58.75 -35.33 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 120.383 1.447 . . . . 0.0 112.174 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.3 -51.28 70.22 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 122.484 2.402 . . . . 0.0 112.085 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.17 95.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.389 0.995 . . . . 0.0 111.946 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.65 -52.43 38.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.996 0.918 . . . . 0.0 111.668 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -53.54 -45.32 69.78 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.66 1.584 . . . . 0.0 111.742 168.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -49.59 76.82 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.562 1.528 . . . . 0.0 112.465 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -66.97 -40.78 87.54 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.826 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' HA ' ' HG ' ' A' ' 53' ' ' LEU . 1.3 mp -73.12 -30.87 63.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.597 0.759 . . . . 0.0 112.423 178.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -62.68 -36.28 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.673 1.189 . . . . 0.0 111.989 167.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -31.85 68.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.404 1.002 . . . . 0.0 112.268 171.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.733 HD22 ' CD2' ' A' ' 19' ' ' TYR . 3.7 mt -74.05 -44.43 54.29 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 110.874 175.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.83 -37.51 79.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.334 0.654 . . . . 0.0 112.247 171.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -42.51 91.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.898 1.279 . . . . 0.0 112.003 173.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.4 t -65.24 -38.34 90.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.537 1.062 . . . . 0.0 111.851 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.06 83.8 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.234 1.014 . . . . 0.0 113.541 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.17 70.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 127.494 2.318 . . . . 0.0 108.653 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.1 mtt -72.65 99.29 2.53 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.349 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.147 1.779 . . . . 0.0 111.045 179.205 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 118.035 -0.983 . . . . 0.0 112.403 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -37.71 70.99 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.552 1.524 . . . . 0.0 113.874 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.58 -57.97 9.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 119.25 -0.405 . . . . 0.0 111.167 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.7 t -48.53 -40.29 26.36 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.252 1.021 . . . . 0.0 112.859 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.1 -48.29 82.34 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.768 1.167 . . . . 0.0 112.201 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -69.78 -41.0 75.69 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.668 -0.645 . . . . 0.0 112.27 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.68 -41.92 96.09 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.12 1.368 . . . . 0.0 111.453 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -38.51 87.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.363 1.465 . . . . 0.0 112.067 171.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.78 83.06 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 t -68.18 -19.73 64.81 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.27 -0.894 . . . . 0.0 112.596 171.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.21 28.84 8.32 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.792 1.187 . . . . 0.0 113.888 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -114.71 68.78 2.06 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.035 2.134 . . . . 0.0 112.13 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -65.7 -23.89 55.68 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.657 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -55.87 -36.38 67.53 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -83.11 -30.96 27.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.553 -0.717 . . . . 0.0 111.699 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.23 93.87 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.302 -0.874 . . . . 0.0 112.001 169.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -63.15 -37.23 86.42 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.355 1.062 . . . . 0.0 112.226 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.87 -33.02 68.25 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.478 1.111 . . . . 0.0 112.477 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -40.5 83.54 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.153 -0.967 . . . . 0.0 112.703 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.68 -16.98 63.66 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.097 -1.002 . . . . 0.0 111.912 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -85.06 28.07 0.73 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.781 2.033 . . . . 0.0 112.703 173.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -51.52 -6.3 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.076 2.15 . . . . 0.0 115.724 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.3 -28.81 67.11 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.166 1.787 . . . . 0.0 112.936 172.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -151.91 152.29 29.69 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.911 1.284 . . . . 0.0 112.833 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.8 142.87 12.91 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.262 2.641 . . . . 0.0 110.949 170.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.96 170.12 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.673 1.589 . . . . 0.0 111.61 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -85.58 99.5 11.3 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.378 -0.826 . . . . 0.0 110.563 168.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.92 -29.77 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.14 -0.975 . . . . 0.0 112.194 169.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -50.14 -33.87 20.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.519 1.128 . . . . 0.0 113.525 172.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 tp -73.95 -38.31 64.28 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.624 0.647 . . . . 0.0 111.862 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -39.25 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.366 -0.834 . . . . 0.0 112.334 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.34 68.09 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 171.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -88.2 -46.29 9.38 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.457 1.026 . . . . 0.0 113.046 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.57 -38.86 82.26 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.054 0.942 . . . . 0.0 111.289 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -119.75 66.06 0.81 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.76 1.624 . . . . 0.0 107.956 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -88.39 -5.6 58.2 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.122 1.369 . . . . 0.0 112.128 168.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -69.01 -36.47 77.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.8 1.24 . . . . 0.0 113.511 -177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.554 HD21 HG12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -72.63 -179.21 2.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.087 2.155 . . . . 0.0 112.814 179.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -90.44 155.75 18.7 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 120.928 -1.107 . . . . 0.0 112.733 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.97 -21.15 60.86 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -49.36 78.15 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 112.825 168.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -36.38 75.03 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.984 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.554 HG12 HD21 ' A' ' 38' ' ' LEU . 18.5 mm -56.14 -36.86 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 117.077 -1.44 . . . . 0.0 112.637 168.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -47.46 74.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.965 2.166 . . . . 0.0 111.598 177.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.02 -36.14 36.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.052 0.941 . . . . 0.0 113.319 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.64 -50.51 70.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.951 1.7 . . . . 0.0 109.745 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -57.87 -40.21 79.67 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 125.078 1.351 . . . . 0.0 111.834 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -52.7 63.36 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.494 1.952 . . . . 0.0 112.429 176.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.03 -47.77 83.28 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.231 0.612 . . . . 0.0 111.928 178.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.624 ' HA ' HD22 ' A' ' 53' ' ' LEU . 9.3 mp -67.5 -31.96 72.44 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.904 0.775 . . . . 0.0 112.265 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -62.39 -34.25 76.35 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.143 -1.598 . . . . 0.0 110.78 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -61.62 -37.1 82.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.58 1.082 . . . . 0.0 112.916 170.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -67.58 -44.94 76.96 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.82 0.848 . . . . 0.0 111.336 176.173 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -62.65 -45.91 90.64 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.241 1.016 . . . . 0.0 112.518 172.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -41.59 93.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.423 1.489 . . . . 0.0 111.961 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 11.6 t -67.94 -35.14 77.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.682 0.673 . . . . 0.0 111.547 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.75 92.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.45 55.38 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.637 1.575 . . . . 0.0 111.817 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.18 73.86 0.48 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.717 1.607 . . . . 0.0 112.695 176.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.256 1.399 0 C-N-CA 126.399 1.88 . . . . 0.0 114.489 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.502 2.133 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -63.3 -31.13 72.2 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 120.005 1.275 . . . . 0.0 114.139 -165.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.95 35.28 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.168 -0.957 . . . . 0.0 111.483 167.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 t -49.6 -40.35 38.63 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.206 1.402 . . . . 0.0 113.054 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -58.73 -47.5 84.39 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.525 -0.735 . . . . 0.0 112.243 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -67.8 -42.79 81.03 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.509 -1.369 . . . . 0.0 111.925 175.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.0 -30.23 71.44 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.818 1.247 . . . . 0.0 111.533 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -31.14 29.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.797 1.239 . . . . 0.0 111.343 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.57 75.58 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.025 1.33 . . . . 0.0 113.678 170.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.7 p -79.45 -12.8 59.88 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.42 24.39 24.11 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 124.346 0.974 . . . . 0.0 114.379 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -117.71 62.5 3.91 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.981 1.312 . . . . 0.0 112.966 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -59.55 -25.92 80.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.097 1.864 . . . . 0.0 112.637 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -47.44 -39.06 14.79 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 166.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -80.87 -36.95 30.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 122.988 0.515 . . . . 0.0 111.658 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.33 74.13 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 120.72 -1.238 . . . . 0.0 111.889 170.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -26.9 67.12 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 117.792 -1.099 . . . . 0.0 113.266 171.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.54 -28.69 64.05 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.975 1.261 . . . . 0.0 113.161 175.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.755 ' CD2' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -64.29 -37.27 86.89 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 121.01 -1.056 . . . . 0.0 111.238 171.078 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.58 -10.25 54.66 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.909 -1.119 . . . . 0.0 111.379 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -100.57 34.25 2.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.952 1.301 . . . . 0.0 112.066 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -53.09 -5.27 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 127.01 2.124 . . . . 0.0 115.298 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.82 -24.08 66.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.616 2.366 . . . . 0.0 113.261 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.77 151.34 24.81 Favored Pre-proline 0 CA--C 1.562 1.435 0 C-N-CA 125.457 1.503 . . . . 0.0 113.457 172.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -78.95 132.95 10.88 Favored 'Trans proline' 0 C--N 1.363 1.34 0 C-N-CA 121.895 1.73 . . . . 0.0 112.568 168.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.08 157.33 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.059 1.744 . . . . 0.0 112.98 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -76.75 113.51 14.49 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 119.135 0.88 . . . . 0.0 111.332 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 mm -55.64 -34.0 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 120.978 -1.076 . . . . 0.0 110.361 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -37.63 44.96 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.777 1.231 . . . . 0.0 113.531 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.42 97.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.319 0.647 . . . . 0.0 111.145 176.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -34.2 67.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.753 0.821 . . . . 0.0 111.985 172.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -27.98 69.54 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 120.139 1.336 . . . . 0.0 111.034 170.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.39 -46.39 17.67 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.323 1.874 . . . . 0.0 111.813 172.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.12 -35.26 78.2 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.109 -0.995 . . . . 0.0 111.939 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -125.11 78.6 1.72 Allowed 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -95.81 -11.13 27.33 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.502 1.121 . . . . 0.0 113.563 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -66.72 -30.7 71.0 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.454 -2.029 . . . . 0.0 114.49 -174.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 179.21 7.55 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 126.57 1.948 . . . . 0.0 113.491 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -85.71 157.14 20.37 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.57 -1.331 . . . . 0.0 112.932 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -22.92 62.44 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 171.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -42.09 99.6 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.984 -1.072 . . . . 0.0 112.964 171.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.82 -35.88 67.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.532 0.605 . . . . 0.0 111.22 172.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.8 mm -56.78 -37.82 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.484 169.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -57.45 -42.12 81.87 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 122.274 2.306 . . . . 0.0 112.582 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.77 -39.91 50.06 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.79 -51.2 65.87 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.224 1.41 . . . . 0.0 110.138 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -57.21 -50.35 73.15 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 125.452 1.501 . . . . 0.0 111.481 170.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -48.79 73.43 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 121.373 1.897 . . . . 0.0 112.088 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -52.63 59.14 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.41 -28.15 68.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 120.166 1.348 . . . . 0.0 111.917 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -73.55 -30.62 63.17 Favored 'General case' 0 CA--C 1.551 1.011 0 O-C-N 119.202 -2.186 . . . . 0.0 113.11 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -59.4 -32.34 70.08 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.323 0.965 . . . . 0.0 113.083 165.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.755 HD22 ' CD2' ' A' ' 19' ' ' TYR . 4.5 mt -69.69 -42.2 74.41 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.653 0.781 . . . . 0.0 111.567 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.7 -40.73 79.88 Favored 'General case' 0 CA--C 1.565 1.536 0 O-C-N 121.529 -0.732 . . . . 0.0 112.514 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -42.63 78.47 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.842 1.257 . . . . 0.0 111.202 166.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.5 t -65.09 -37.52 87.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 119.452 1.024 . . . . 0.0 113.016 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.59 70.82 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.769 1.228 . . . . 0.0 113.155 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.37 52.42 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.731 1.213 . . . . 0.0 112.186 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.55 110.22 0.94 Allowed 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.602 -1.311 . . . . 0.0 111.143 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.283 2.828 0 C-N-CA 126.681 1.993 . . . . 0.0 112.494 175.549 . . . . . . . . 1 1 . 1 stop_ save_